(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine

C21H27NO2S — CID 92502946

IUPAC(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
SMILESCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C21H27NO2S/c1-15-8-10-19(11-9-15)20-7-5-6-12-22(20)25(23,24)21-14-17(3)16(2)13-18(21)4/h8-11,13-14,20H,5-7,12H2,1-4H3/t20-/m0/s1
InChIKeyPQSAMWDKELEIBK-FQEVSTJZSA-N
MW357.52 g/mol
LogP4.84
Rot. Bonds3

About (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine

(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine (PubChem CID 92502946) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
PubChem CID92502946
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
SMILESCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C21H27NO2S/c1-15-8-10-19(11-9-15)20-7-5-6-12-22(20)25(23,24)21-14-17(3)16(2)13-18(21)4/h8-11,13-14,20H,5-7,12H2,1-4H3/t20-/m0/s1
InChIKeyPQSAMWDKELEIBK-FQEVSTJZSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 50747098
(2S)-2-(4-chlorophenyl)-1-(2,5-dimethylphenyl)sulfonylazepane
CID 95079074
(2S)-1-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95079257
1-(2-methyl-5-nitrophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 55556292
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 53096226
1-(2,5-dimethylphenyl)sulfonyl-2-(5-methylthiophen-2-yl)azepane
CID 53096178
(2R)-2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonylpyrrolidine
CID 51856140
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2S)-2-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylazepane
CID 95078922

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
The IUPAC name of (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine (CID 92502946) is (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine is Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
The InChIKey is PQSAMWDKELEIBK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-15-8-10-19(11-9-15)20-7-5-6-12-22(20)25(23,24)21-14-17(3)16(2)13-18(21)4/h8-11,13-14,20H,5-7,12H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine?
(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine has a molecular weight of 357.52 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 92502946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).