4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide

C14H23N3O2S — CID 63761185

IUPAC4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)13-7-5-12(6-8-13)17-14(11-15)9-3-4-10-14/h5-8,16-17H,2-4,9-11,15H2,1H3
InChIKeyKANSCBXAWHLDQI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.67
Rot. Bonds6

About 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide

4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide (PubChem CID 63761185) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
PubChem CID63761185
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2(CN)CCCC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)13-7-5-12(6-8-13)17-14(11-15)9-3-4-10-14/h5-8,16-17H,2-4,9-11,15H2,1H3
InChIKeyKANSCBXAWHLDQI-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
CID 63761192
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzenesulfonamide
CID 115360710
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457
N-(1-ethylcyclobutyl)-4-ethylsulfonylaniline
CID 113488863
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
CID 79521267

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide (CID 63761185) is 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2(CN)CCCC2)cc1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide?
The InChIKey is KANSCBXAWHLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-16-20(18,19)13-7-5-12(6-8-13)17-14(11-15)9-3-4-10-14/h5-8,16-17H,2-4,9-11,15H2,1H3.
What are the key properties of 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide?
4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentyl]amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63761185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).