N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide

C15H23N3O3S — CID 44518327

IUPACN-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-12(19)17-14-9-5-6-10-15(14)18-22(20,21)16-11-13-7-3-2-4-8-13/h2-4,7-8,14-16,18H,5-6,9-11H2,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyPGEGENMZYROSRC-HUUCEWRRSA-N
MW325.43 g/mol
LogP1.06
Rot. Bonds6

About N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide

N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide (PubChem CID 44518327) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
PubChem CID44518327
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3S/c1-12(19)17-14-9-5-6-10-15(14)18-22(20,21)16-11-13-7-3-2-4-8-13/h2-4,7-8,14-16,18H,5-6,9-11H2,1H3,(H,17,19)/t14-,15-/m1/s1
InChIKeyPGEGENMZYROSRC-HUUCEWRRSA-N
XLogP1.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-[(1R,2R)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]cyclohexyl]acetamide
CID 91716737
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
benzyl N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]carbamate
CID 50906329
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
2-(benzylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816835
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
benzylsulfamic acid;ethane
CID 154691965
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
CID 175240823
N'-[(1R,2S)-2-benzylcyclopentyl]acetohydrazide
CID 125464208

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide (CID 44518327) is N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide is CC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide?
The InChIKey is PGEGENMZYROSRC-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(19)17-14-9-5-6-10-15(14)18-22(20,21)16-11-13-7-3-2-4-8-13/h2-4,7-8,14-16,18H,5-6,9-11H2,1H3,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide?
N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide is sourced from PubChem (CID 44518327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).