(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine

C18H21NO2S — CID 151743703

IUPAC(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
SMILESCS(=O)(=O)c1cccc([C@@H]2CCCN(c3ccccc3)C2)c1
InChIInChI=1S/C18H21NO2S/c1-22(20,21)18-11-5-7-15(13-18)16-8-6-12-19(14-16)17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3/t16-/m1/s1
InChIKeyRNBPWBJQXSTZAT-MRXNPFEDSA-N
MW315.44 g/mol
LogP3.47
Rot. Bonds3

About (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine

(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine (PubChem CID 151743703) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine.

Molecular Properties

Compound Name(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
PubChem CID151743703
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
SMILESCS(=O)(=O)c1cccc([C@@H]2CCCN(c3ccccc3)C2)c1
InChIInChI=1S/C18H21NO2S/c1-22(20,21)18-11-5-7-15(13-18)16-8-6-12-19(14-16)17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3/t16-/m1/s1
InChIKeyRNBPWBJQXSTZAT-MRXNPFEDSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine 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

3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003
3-(3-methylsulfonylphenyl)-1-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[3-(3-methylsulfonylphenyl)piperidin-1-yl]propan-2-yl]oxypropyl]piperidine;hydrochloride
CID 142768118
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003
(E)-3-(hydroxymethoxy)prop-2-enoic acid;methane;(3S)-3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 160764694
[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine
CID 166793956
1-(4-methylsulfonyl-2-nitrophenyl)-4-phenylazepane
CID 133286645
N-methyl-N-(4-methylsulfonyl-2-nitrophenyl)-1-phenylpiperidin-3-amine
CID 133315995
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine
CID 91106019
2-[3-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24863427
N-methyl-1-(4-methylsulfonylphenyl)piperidin-3-amine
CID 62546364
(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
CID 125177264

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine?
The IUPAC name of (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine (CID 151743703) is (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine.
What is the SMILES notation for (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine?
The canonical SMILES for (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine is CS(=O)(=O)c1cccc([C@@H]2CCCN(c3ccccc3)C2)c1.
What is the InChIKey of (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine?
The InChIKey is RNBPWBJQXSTZAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-22(20,21)18-11-5-7-15(13-18)16-8-6-12-19(14-16)17-9-3-2-4-10-17/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3/t16-/m1/s1.
What are the key properties of (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine?
(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine has a molecular weight of 315.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine is sourced from PubChem (CID 151743703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).