1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide

C13H18N2O3S — CID 103308699

IUPAC1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NS(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C13H18N2O3S/c14-13(9-5-2-6-10-13)12(16)15-19(17,18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,15,16)
InChIKeyAWRYGOWKMAUNRL-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.15
Rot. Bonds3

About 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide

1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide (PubChem CID 103308699) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide
PubChem CID103308699
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NS(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C13H18N2O3S/c14-13(9-5-2-6-10-13)12(16)15-19(17,18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,15,16)
InChIKeyAWRYGOWKMAUNRL-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide
CID 103308752
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587
1-amino-N-[3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119283953
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
1-amino-N-benzhydrylcyclopentane-1-carboxamide
CID 97030389
methyl N-(benzenesulfonyl)carbamate
CID 676519
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
N-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119278245
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
1-amino-N-[4-(methylsulfamoyl)phenyl]cyclobutane-1-carboxamide
CID 81178892
1-amino-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307202

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide (CID 103308699) is 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide is NC1(C(=O)NS(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
The InChIKey is AWRYGOWKMAUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-13(9-5-2-6-10-13)12(16)15-19(17,18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14H2,(H,15,16).
What are the key properties of 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide?
1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(benzenesulfonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103308699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).