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

C16H26ClN3O3S — CID 119992275

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-11(2)15(17)7-9-19(3)23(21,22)13-5-4-12-6-8-18-16(20)14(12)10-13;/h4-5,10-11,15H,6-9,17H2,1-3H3,(H,18,20);1H
InChIKeyOTAUSCDZRDAOIQ-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.39
Rot. Bonds6

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

N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (PubChem CID 119992275) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
PubChem CID119992275
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-11(2)15(17)7-9-19(3)23(21,22)13-5-4-12-6-8-18-16(20)14(12)10-13;/h4-5,10-11,15H,6-9,17H2,1-3H3,(H,18,20);1H
InChIKeyOTAUSCDZRDAOIQ-UHFFFAOYSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-methylpentyl)-N-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (CID 119992275) is N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is OTAUSCDZRDAOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-11(2)15(17)7-9-19(3)23(21,22)13-5-4-12-6-8-18-16(20)14(12)10-13;/h4-5,10-11,15H,6-9,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119992275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).