3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide

C13H19N3O3S — CID 66008738

IUPAC3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C13H19N3O3S/c1-8-2-5-11(20(15,18)19)7-12(8)16-13(17)9-3-4-10(14)6-9/h2,5,7,9-10H,3-4,6,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyIOQRIPJDRVHEER-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.71
Rot. Bonds3

About 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide

3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide (PubChem CID 66008738) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
PubChem CID66008738
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C13H19N3O3S/c1-8-2-5-11(20(15,18)19)7-12(8)16-13(17)9-3-4-10(14)6-9/h2,5,7,9-10H,3-4,6,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyIOQRIPJDRVHEER-UHFFFAOYSA-N
XLogP0.71
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-amino-N-(2-chloro-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 66008930
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
(1S,2S,4S)-N-(2-methyl-5-sulfamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079751
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692536
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide (CID 66008738) is 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide?
The InChIKey is IOQRIPJDRVHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-2-5-11(20(15,18)19)7-12(8)16-13(17)9-3-4-10(14)6-9/h2,5,7,9-10H,3-4,6,14H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide?
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66008738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).