(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

C15H19NO3S — CID 51550537

IUPAC(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H19NO3S/c1-11-8-9-13(20(2,18)19)10-14(11)16-15(17)12-6-4-3-5-7-12/h3-4,8-10,12H,5-7H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyWNZHGCYQGMDSQL-GFCCVEGCSA-N
MW293.39 g/mol
LogP2.69
Rot. Bonds3

About (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 51550537) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID51550537
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H19NO3S/c1-11-8-9-13(20(2,18)19)10-14(11)16-15(17)12-6-4-3-5-7-12/h3-4,8-10,12H,5-7H2,1-2H3,(H,16,17)/t12-/m1/s1
InChIKeyWNZHGCYQGMDSQL-GFCCVEGCSA-N
XLogP2.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.69
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-(2-chloro-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 42907796
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148
(1S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
CID 35978377
N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide (CID 51550537) is (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is WNZHGCYQGMDSQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-8-9-13(20(2,18)19)10-14(11)16-15(17)12-6-4-3-5-7-12/h3-4,8-10,12H,5-7H2,1-2H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51550537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).