(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine

C15H23NO2S — CID 96540288

IUPAC(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
SMILESC[C@@]1(c2ccccc2)CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C15H23NO2S/c1-15(14-7-4-3-5-8-14)9-6-10-16(13-15)11-12-19(2,17)18/h3-5,7-8H,6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyWUNAHXBAODDHGR-OAHLLOKOSA-N
MW281.42 g/mol
LogP2.08
Rot. Bonds4

About (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine

(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine (PubChem CID 96540288) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
PubChem CID96540288
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
SMILESC[C@@]1(c2ccccc2)CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C15H23NO2S/c1-15(14-7-4-3-5-8-14)9-6-10-16(13-15)11-12-19(2,17)18/h3-5,7-8H,6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyWUNAHXBAODDHGR-OAHLLOKOSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-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

(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
CID 96540298
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
N-methyl-2-[(3R)-3-methyl-3-phenylpiperidin-1-yl]-N-phenylacetamide
CID 97120184
3,3-dimethyl-1-(2-methylsulfonylethyl)pyrrolidine
CID 126539787
(2R)-1-methoxy-3-[(3S)-3-methyl-3-phenylpiperidin-1-yl]propan-2-ol
CID 99103988
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
4-[(3-methyl-3-phenylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one
CID 154850110
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 72923462

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine?
The IUPAC name of (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine (CID 96540288) is (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine.
What is the SMILES notation for (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine?
The canonical SMILES for (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine is C[C@@]1(c2ccccc2)CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine?
The InChIKey is WUNAHXBAODDHGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(14-7-4-3-5-8-14)9-6-10-16(13-15)11-12-19(2,17)18/h3-5,7-8H,6,9-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine?
(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine is sourced from PubChem (CID 96540288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).