(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide

C15H20N2O3S — CID 94192956

IUPAC(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C15H20N2O3S/c1-17(12-13-8-4-2-5-9-13)21(19,20)16-15(18)14-10-6-3-7-11-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyZKAXKBQYGWFGBN-AWEZNQCLSA-N
MW308.40 g/mol
LogP1.84
Rot. Bonds5

About (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94192956) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
PubChem CID94192956
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C15H20N2O3S/c1-17(12-13-8-4-2-5-9-13)21(19,20)16-15(18)14-10-6-3-7-11-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyZKAXKBQYGWFGBN-AWEZNQCLSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide
CID 47052198
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94671381
(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-[benzyl(methyl)sulfamoyl]-2-benzylsulfanylpropanamide
CID 55824374
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
[methyl-[[4-(methylamino)cyclohexyl]sulfamoyl]amino]methylbenzene
CID 79118112
(2S)-3-[[benzyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 107835221
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide (CID 94192956) is (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide is CN(Cc1ccccc1)S(=O)(=O)NC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZKAXKBQYGWFGBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(12-13-8-4-2-5-9-13)21(19,20)16-15(18)14-10-6-3-7-11-14/h2-6,8-9,14H,7,10-12H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[benzyl(methyl)sulfamoyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94192956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).