(2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

C24H29NO2S — CID 146166543

IUPAC(2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C24H29NO2S/c1-19-12-14-23(15-13-19)28(26,27)25-17-16-22(20-8-4-2-5-9-20)18-24(25)21-10-6-3-7-11-21/h2,4-5,8-9,12-16,21,24H,3,6-7,10-11,17-18H2,1H3/t24-/m0/s1
InChIKeyDDVCOWGFLPGMAV-DEOSSOPVSA-N
MW395.57 g/mol
LogP5.42
Rot. Bonds4

About (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine

(2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 146166543) has the molecular formula C24H29NO2S and a molecular weight of 395.57 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID146166543
Molecular FormulaC24H29NO2S
Molecular Weight395.57 g/mol
Exact Mass395.19
IUPAC Name(2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C24H29NO2S/c1-19-12-14-23(15-13-19)28(26,27)25-17-16-22(20-8-4-2-5-9-20)18-24(25)21-10-6-3-7-11-21/h2,4-5,8-9,12-16,21,24H,3,6-7,10-11,17-18H2,1H3/t24-/m0/s1
InChIKeyDDVCOWGFLPGMAV-DEOSSOPVSA-N
XLogP5.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
6-[(4-Methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane
CID 613677
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
[2-(3-Ethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479859
Methyl[2-(4-methylphenyl)-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine
CID 479865
[2-(3,5-Dimethylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479868
Methyl[2-(3-methylphenyl)-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine
CID 479883
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
1-(4-Methylbenzenesulfonyl)-2-phenylaziridine
CID 576319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 146166543) is (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C[C@H]2C2CCCCC2)cc1.
What is the InChIKey of (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is DDVCOWGFLPGMAV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29NO2S/c1-19-12-14-23(15-13-19)28(26,27)25-17-16-22(20-8-4-2-5-9-20)18-24(25)21-10-6-3-7-11-21/h2,4-5,8-9,12-16,21,24H,3,6-7,10-11,17-18H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine?
(2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 395.57 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-1-(4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146166543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).