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

C14H23ClN2O3S — CID 119985851

IUPACN-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-2-19-12-6-8-13(9-7-12)20(17,18)16-14-5-3-4-11(14)10-15;/h6-9,11,14,16H,2-5,10,15H2,1H3;1H
InChIKeyHTZSECMUGZTFNW-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.91
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride (PubChem CID 119985851) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
PubChem CID119985851
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-2-19-12-6-8-13(9-7-12)20(17,18)16-14-5-3-4-11(14)10-15;/h6-9,11,14,16H,2-5,10,15H2,1H3;1H
InChIKeyHTZSECMUGZTFNW-UHFFFAOYSA-N
XLogP1.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(2-ethoxyethoxy)benzenesulfonamide;hydrochloride
CID 119985886
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(aminomethyl)cyclohexyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119611787
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride (CID 119985851) is N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)NC2CCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride?
The InChIKey is HTZSECMUGZTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-2-19-12-6-8-13(9-7-12)20(17,18)16-14-5-3-4-11(14)10-15;/h6-9,11,14,16H,2-5,10,15H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.91, 6 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-ethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).