N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

C15H21N3O3S — CID 119980954

IUPACN-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCCC1
InChIInChI=1S/C15H21N3O3S/c16-10-15(6-1-2-7-15)18-22(20,21)12-4-3-11-5-8-17-14(19)13(11)9-12/h3-4,9,18H,1-2,5-8,10,16H2,(H,17,19)
InChIKeyUEVITQMOXNWAIZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.52
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide (PubChem CID 119980954) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
PubChem CID119980954
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
SMILESNCC1(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCCC1
InChIInChI=1S/C15H21N3O3S/c16-10-15(6-1-2-7-15)18-22(20,21)12-4-3-11-5-8-17-14(19)13(11)9-12/h3-4,9,18H,1-2,5-8,10,16H2,(H,17,19)
InChIKeyUEVITQMOXNWAIZ-UHFFFAOYSA-N
XLogP0.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 90259153
N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119990045
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 119993263
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
N-[2-amino-1-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 167821291
N-[2-(cycloheptylamino)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119987279
7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 71875688
4-fluoro-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524858
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 56793124

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide (CID 119980954) is N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide is NCC1(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
The InChIKey is UEVITQMOXNWAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c16-10-15(6-1-2-7-15)18-22(20,21)12-4-3-11-5-8-17-14(19)13(11)9-12/h3-4,9,18H,1-2,5-8,10,16H2,(H,17,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 119980954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).