1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide

C13H18N2O4S — CID 81433983

IUPAC1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C13H18N2O4S/c1-20(18,19)9-4-5-11(16)10(8-9)15-12(17)13(14)6-2-3-7-13/h4-5,8,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyWYCKSGANYAQEJB-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.01
Rot. Bonds3

About 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide

1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide (PubChem CID 81433983) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
PubChem CID81433983
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C13H18N2O4S/c1-20(18,19)9-4-5-11(16)10(8-9)15-12(17)13(14)6-2-3-7-13/h4-5,8,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyWYCKSGANYAQEJB-UHFFFAOYSA-N
XLogP1.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-methylsulfonylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 81433175
2-(1-aminocyclopentyl)-5-methylsulfonylphenol
CID 117391526
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119320030
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
CID 81434078
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 115452495
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119277802

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide (CID 81433983) is 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide is CS(=O)(=O)c1ccc(O)c(NC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The InChIKey is WYCKSGANYAQEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-20(18,19)9-4-5-11(16)10(8-9)15-12(17)13(14)6-2-3-7-13/h4-5,8,16H,2-3,6-7,14H2,1H3,(H,15,17).
What are the key properties of 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-5-methylsulfonylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 81433983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).