3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide

C12H16N2O3S — CID 103308923

IUPAC3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O3S/c13-10-7-6-9(8-10)12(15)14-18(16,17)11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2,(H,14,15)
InChIKeyBQAPRSJFERGPLW-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.62
Rot. Bonds3

About 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide

3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide (PubChem CID 103308923) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
PubChem CID103308923
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C12H16N2O3S/c13-10-7-6-9(8-10)12(15)14-18(16,17)11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2,(H,14,15)
InChIKeyBQAPRSJFERGPLW-UHFFFAOYSA-N
XLogP0.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 75277368
3-amino-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopentane-1-carboxamide
CID 119676621
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
2-(aminomethyl)-N-(benzenesulfonyl)cyclohexane-1-carboxamide
CID 103308898
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide (CID 103308923) is 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide is NC1CCC(C(=O)NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide?
The InChIKey is BQAPRSJFERGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-10-7-6-9(8-10)12(15)14-18(16,17)11-4-2-1-3-5-11/h1-5,9-10H,6-8,13H2,(H,14,15).
What are the key properties of 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide?
3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(benzenesulfonyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 103308923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).