(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

C14H17NO3S — CID 26975857

IUPAC(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)13-9-5-8-12(10-13)15-14(16)11-6-3-2-4-7-11/h2-3,5,8-11H,4,6-7H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyHFLPRHWFUSEIGA-LLVKDONJSA-N
MW279.36 g/mol
LogP2.38
Rot. Bonds3

About (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 26975857) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID26975857
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)13-9-5-8-12(10-13)15-14(16)11-6-3-2-4-7-11/h2-3,5,8-11H,4,6-7H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyHFLPRHWFUSEIGA-LLVKDONJSA-N
XLogP2.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.38
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-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 42888967
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
N-(2-chloro-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 42907796
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (CID 26975857) is (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1.
What is the InChIKey of (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is HFLPRHWFUSEIGA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19(17,18)13-9-5-8-12(10-13)15-14(16)11-6-3-2-4-7-11/h2-3,5,8-11H,4,6-7H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 26975857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).