2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide

C16H23N3O2S — CID 142995207

IUPAC2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide
SMILESCC1CNC(C)C1.CNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C10H10N2O2S.C6H13N/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10;1-5-3-6(2)7-4-5/h2-7,11H,1H3;5-7H,3-4H2,1-2H3
InChIKeyWLWQURZWUMJLPU-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.15
Rot. Bonds2

About 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide

2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide (PubChem CID 142995207) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide
PubChem CID142995207
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide
SMILESCC1CNC(C)C1.CNS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C10H10N2O2S.C6H13N/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10;1-5-3-6(2)7-4-5/h2-7,11H,1H3;5-7H,3-4H2,1-2H3
InChIKeyWLWQURZWUMJLPU-UHFFFAOYSA-N
XLogP2.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylpiperazin-1-yl)sulfonylisoquinoline
CID 13229178
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
5-(2,6-dimethylpiperazin-1-yl)sulfonylisoquinoline
CID 63909819
N-(pyrrolidin-3-ylmethyl)isoquinoline-5-sulfonamide;hydrochloride
CID 120720909
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625
N-(4-methylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 114696825
cis-(1S,2R)-N-isoquinolin-5-ylsulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99604975
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
5-(3,6-diazabicyclo[3.2.0]heptan-3-ylsulfonyl)isoquinoline
CID 126511189

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide?
The IUPAC name of 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide (CID 142995207) is 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide.
What is the SMILES notation for 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide?
The canonical SMILES for 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide is CC1CNC(C)C1.CNS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide?
The InChIKey is WLWQURZWUMJLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S.C6H13N/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10;1-5-3-6(2)7-4-5/h2-7,11H,1H3;5-7H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide?
2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide is sourced from PubChem (CID 142995207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).