N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride

C15H24ClN3O3S — CID 119990045

IUPACN-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-3-15(16,4-2)10-18-22(20,21)12-6-5-11-7-8-17-14(19)13(11)9-12;/h5-6,9,18H,3-4,7-8,10,16H2,1-2H3,(H,17,19);1H
InChIKeyULILRTFYBFAYQD-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.19
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (PubChem CID 119990045) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
PubChem CID119990045
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-3-15(16,4-2)10-18-22(20,21)12-6-5-11-7-8-17-14(19)13(11)9-12;/h5-6,9,18H,3-4,7-8,10,16H2,1-2H3,(H,17,19);1H
InChIKeyULILRTFYBFAYQD-UHFFFAOYSA-N
XLogP1.19
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 90259153
N-[2-(cycloheptylamino)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119987279
N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 119993263
N-[1-(aminomethyl)cyclopentyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 119980954
1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119979597
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 56793124
N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 120722518
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-(2-amino-2-ethylbutyl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119989920
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
N-[2-amino-1-(2-fluorophenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 167821291
N-(2-amino-2-ethylbutyl)-3-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119990091

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (CID 119990045) is N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is ULILRTFYBFAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-3-15(16,4-2)10-18-22(20,21)12-6-5-11-7-8-17-14(19)13(11)9-12;/h5-6,9,18H,3-4,7-8,10,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119990045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).