N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

C15H23N3O3S — CID 119993263

IUPACN-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C15H23N3O3S/c1-2-3-4-12(10-16)18-22(20,21)13-6-5-11-7-8-17-15(19)14(11)9-13/h5-6,9,12,18H,2-4,7-8,10,16H2,1H3,(H,17,19)
InChIKeyWTFLEEIAXZDCTG-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.77
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide (PubChem CID 119993263) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
PubChem CID119993263
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C15H23N3O3S/c1-2-3-4-12(10-16)18-22(20,21)13-6-5-11-7-8-17-15(19)14(11)9-13/h5-6,9,12,18H,2-4,7-8,10,16H2,1H3,(H,17,19)
InChIKeyWTFLEEIAXZDCTG-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide with MolForge

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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-1-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 167821291
N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119990045
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 119980954
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
CID 119992924
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
7-butoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 145310441

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide (CID 119993263) is N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
The InChIKey is WTFLEEIAXZDCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-4-12(10-16)18-22(20,21)13-6-5-11-7-8-17-15(19)14(11)9-13/h5-6,9,12,18H,2-4,7-8,10,16H2,1H3,(H,17,19).
What are the key properties of N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide?
N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 119993263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).