N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride

C13H21ClN2O3S — CID 119985790

IUPACN-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-18-11-5-7-12(8-6-11)19(16,17)15-13-4-2-3-10(13)9-14;/h5-8,10,13,15H,2-4,9,14H2,1H3;1H
InChIKeyIHCCLBVQHYYNID-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119985790) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID119985790
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-18-11-5-7-12(8-6-11)19(16,17)15-13-4-2-3-10(13)9-14;/h5-8,10,13,15H,2-4,9,14H2,1H3;1H
InChIKeyIHCCLBVQHYYNID-UHFFFAOYSA-N
XLogP1.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[2-(aminomethyl)cyclopentyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119985886
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
CID 120711075
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride (CID 119985790) is N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is IHCCLBVQHYYNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-18-11-5-7-12(8-6-11)19(16,17)15-13-4-2-3-10(13)9-14;/h5-8,10,13,15H,2-4,9,14H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.52, 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-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).