N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride

C15H25ClN2O3S — CID 119985813

IUPACN-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCOc1c(C)cc(S(=O)(=O)NC2CCCC2CN)cc1C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10-7-13(8-11(2)15(10)20-3)21(18,19)17-14-6-4-5-12(14)9-16;/h7-8,12,14,17H,4-6,9,16H2,1-3H3;1H
InChIKeyLLIJAAAQAXLPKN-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119985813) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119985813
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCOc1c(C)cc(S(=O)(=O)NC2CCCC2CN)cc1C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10-7-13(8-11(2)15(10)20-3)21(18,19)17-14-6-4-5-12(14)9-16;/h7-8,12,14,17H,4-6,9,16H2,1-3H3;1H
InChIKeyLLIJAAAQAXLPKN-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;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-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119985656
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119986348
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride (CID 119985813) is N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride is COc1c(C)cc(S(=O)(=O)NC2CCCC2CN)cc1C.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is LLIJAAAQAXLPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-10-7-13(8-11(2)15(10)20-3)21(18,19)17-14-6-4-5-12(14)9-16;/h7-8,12,14,17H,4-6,9,16H2,1-3H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).