3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide

C14H20N2O3S — CID 63889591

IUPAC3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11(17)12-5-4-6-13(9-12)20(18,19)16-14(10-15)7-2-3-8-14/h4-6,9,16H,2-3,7-8,10,15H2,1H3
InChIKeyWKYFYUFUXPILPT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.44
Rot. Bonds5

About 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide

3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide (PubChem CID 63889591) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
PubChem CID63889591
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11(17)12-5-4-6-13(9-12)20(18,19)16-14(10-15)7-2-3-8-14/h4-6,9,16H,2-3,7-8,10,15H2,1H3
InChIKeyWKYFYUFUXPILPT-UHFFFAOYSA-N
XLogP1.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
ethyl 4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]benzoate
CID 119980917
N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119566712
N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119564871
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide (CID 63889591) is 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCC2)c1.
What is the InChIKey of 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is WKYFYUFUXPILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(17)12-5-4-6-13(9-12)20(18,19)16-14(10-15)7-2-3-8-14/h4-6,9,16H,2-3,7-8,10,15H2,1H3.
What are the key properties of 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide?
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 63889591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).