N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide

C14H22N2O2S — CID 119981024

IUPACN-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-2-12-6-5-7-13(10-12)19(17,18)16-14(11-15)8-3-4-9-14/h5-7,10,16H,2-4,8-9,11,15H2,1H3
InChIKeyARBOFKBBCDDTEQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide (PubChem CID 119981024) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
PubChem CID119981024
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-2-12-6-5-7-13(10-12)19(17,18)16-14(11-15)8-3-4-9-14/h5-7,10,16H,2-4,8-9,11,15H2,1H3
InChIKeyARBOFKBBCDDTEQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
N-[4-(aminomethyl)oxan-4-yl]-3-methylbenzenesulfonamide
CID 106297755
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzenesulfonamide
CID 103828999
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119566712
N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 119980611
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide
CID 120710188
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide (CID 119981024) is N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide is CCc1cccc(S(=O)(=O)NC2(CN)CCCC2)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide?
The InChIKey is ARBOFKBBCDDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-12-6-5-7-13(10-12)19(17,18)16-14(11-15)8-3-4-9-14/h5-7,10,16H,2-4,8-9,11,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide is sourced from PubChem (CID 119981024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).