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5-(2-methylpiperazin-1-yl)sulfonylisoquinoline

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Identification
Molecular formula
C14H17N3O2S
CAS number
.
IUPAC name
5-(2-methylpiperazin-1-yl)sulfonylisoquinoline
State
State

At room temperature, 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline is in a solid state typically characterized as a crystalline powder.

Melting point (Celsius)
196.00
Melting point (Kelvin)
469.20
Boiling point (Celsius)
398.50
Boiling point (Kelvin)
671.70
General information
Molecular weight
316.39g/mol
Molar mass
316.3880g/mol
Density
1.2300g/cm3
Appearence

The compound 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline typically appears as a white to off-white crystalline powder under standard conditions. It is usually synthesized in the context of research on pharmaceuticals and organic compounds.

Comment on solubility

Solubility of 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline

The solubility of the compound 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline (C14H17N3O2S) can be influenced by various factors intrinsic to its molecular structure.

Key Influencing Factors:

  • Polarity: The presence of the sulfonyl group (–SO2–) adds a degree of polarity to the molecule, potentially enhancing its solubility in polar solvents.
  • Hydrogen Bonding: The functional groups, particularly those involving nitrogen, may facilitate hydrogen bonding, which plays a crucial role in solubility, particularly in aqueous environments.
  • Size and Structure: The bulkiness of the isoquinoline portion may inhibit solubility in certain non-polar solvents due to steric hindrance.

In practice, 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline is generally expected to be:

Expected Solubility Characteristics:

  • Highly soluble in water and other polar solvents due to its polar functional groups.
  • More difficult to dissolve in non-polar solvents, given the hydrophobic nature of the isoquinoline structure.
  • Enhanced solubility in organic solvents where hydrogen bonding is favored.

Overall, understanding the solubility of this compound can provide insights into its potential applications, interactions, and behaviors in various chemical environments.

Interesting facts

Interesting Facts about 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline

5-(2-methylpiperazin-1-yl)sulfonylisoquinoline is a fascinating organic compound that stands out due to its unique structural features and potential applications in various fields. Here are some notable points:

  • Medicinal Chemistry: This compound belongs to a class of isoquinoline derivatives, which are often explored for their pharmaceutical properties. Many isoquinolines have been identified as having significant therapeutic potential, particularly in treating neurological disorders.
  • Pharmacophore: The presence of the sulfonyl group in its structure is particularly interesting. Sulfonyl groups are known to enhance the bioactivity of compounds, making them more effective in biological systems.
  • 2-Methylpiperazine Linkage: The integration of a 2-methylpiperazine moiety in the compound contributes to its ability to interact with biological targets, potentially offering a pathway for drug design focused on specific receptors or enzymes.
  • Diverse Applications: Beyond pharmaceuticals, compounds like this one might find roles in agrochemicals, materials science, and as catalysts in chemical reactions due to their distinctive functional groups.
  • Research Interest: The synthesis and characterization of this compound are crucial for understanding its reactivity and properties. Researchers continue to investigate its mechanisms of action, aiming to uncover new applications.
  • Structural Versatility: The versatility in the structure of isoquinolines allows chemists to modify them easily to enhance their properties, making them a key focus in synthetic organic chemistry.

In summary, 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline is not only a compound of interest due to its complex structure but also a gateway to potential innovations in drug discovery and materials science. As the saying goes, "The more we know, the more we can achieve."

Synonyms
84477-87-2
1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE
1-(5-Isoquinolinylsulfonyl)-2-methylpiperazine
Protein kinase inhibitor H-7
H-7
5-(2-methylpiperazin-1-yl)sulfonylisoquinoline
5-(2-methylpiperazine-1-sulfonyl)isoquinoline
Piperazine, 1-(5-isoquinolinylsulfonyl)-2-methyl-
Isoquinoline,5-[(2-methyl-1-piperazinyl)sulfonyl]-,hydrochloride (1:2)
UNII-487H9Q0F9N
BRN 5482740
5-((2-Methylpiperazin-1-yl)sulfonyl)isoquinoline
CHEBI:43385
H 7
5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline
MLS000069615
CHEMBL323556
CHEBI:83438
Isoquinoline-5-sulfonic 2-methyl-1-piperazide
487H9Q0F9N
DTXSID401004756
Piperazine, 1-(5-isoquinolinylsulfonyl)-2-methyl-, (2S-(1(R*(R*)), 2alpha, 3abeta, 7abeta))-
Piperazine, 1-(5-isoquinolinylsulfonyl)-2-methyl-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-
SMR000058749
(+/-)-1-(5-isoquinolinesulfonyl)-2-methylpiperazine
H7
5-((2S)-2-methylpiperazin-1-yl)sulfonylisoquinoline
5-[(2S)-2-methylpiperazin-1-yl]sulfonylisoquinoline
H-7 inhibitor
H-7 inhibitor?
1-(5-ISOQUINOLINYLSULFONYL)-2-METHYL-PIPERAZINE
BiomolKI_000004
Opera_ID_1708
BiomolKI2_000014
cid_3542
Protein kinase inhibitor H7
Lopac0_000598
Lopac0_000682
BSPBio_001105
KBioGR_000445
KBioSS_000445
MLS001332489
MLS001332490
SCHEMBL190590
SGCUT00137
KBio2_000445
KBio2_003013
KBio2_005581
KBio3_000829
KBio3_000830
BRD6846
Bio1_000431
Bio1_000920
Bio1_001409
Bio2_000383
Bio2_000863
DTXCID901431649
GLXC-26402
HMS1362G07
HMS1792G07
HMS1990G07
HMS2231B22
HMS3374N04
HMS3403G07
BRD-6846
EX-A7026
to_000063
BDBM50216682
MFCD00063403
AKOS009159179
CCG-100608
DB07996
SDCCGSBI-0050580.P003
IDI1_002138
SMP2_000201
NCGC00015487-05
NCGC00015487-06
NCGC00015487-07
NCGC00015487-08
NCGC00015487-09
NCGC00015487-11
NCGC00015487-12
NCGC00015487-16
NCGC00024640-03
NCGC00024640-04
NCGC00024640-05
NCGC00024640-06
DA-38190
MS-24163
HY-131900
1-5-Isoquinolinesulphonyl-2-methylpiperazine
CS-0142529
BRD-A55756846-001-05-5
BRD-A55756846-300-01-0
Piperazine, 1-(5-isoquinolinylsulfonyl)-2-methyl- (9CI)