(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine

C15H23NO2S — CID 97130537

IUPAC(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
SMILESCN1CCCC[C@H]1CCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-16-12-4-3-5-14(16)9-6-13-7-10-15(11-8-13)19(2,17)18/h7-8,10-11,14H,3-6,9,12H2,1-2H3/t14-/m0/s1
InChIKeyPGTGAOAQNDOFNR-AWEZNQCLSA-N
MW281.42 g/mol
LogP2.51
Rot. Bonds4

About (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine

(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine (PubChem CID 97130537) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
PubChem CID97130537
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
SMILESCN1CCCC[C@H]1CCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO2S/c1-16-12-4-3-5-14(16)9-6-13-7-10-15(11-8-13)19(2,17)18/h7-8,10-11,14H,3-6,9,12H2,1-2H3/t14-/m0/s1
InChIKeyPGTGAOAQNDOFNR-AWEZNQCLSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine 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

2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
CID 114015298
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
4-(2-hydroxyethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022553
N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
CID 62658865
4-[2-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]ethyl]phenol
CID 95727588
2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
CID 95804418
(2R)-2-[2-(4-hydroxyphenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95721516
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
N,N-dimethyl-1-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-oxopyridine-3-sulfonamide
CID 95264638
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine?
The IUPAC name of (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine (CID 97130537) is (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine.
What is the SMILES notation for (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine?
The canonical SMILES for (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine is CN1CCCC[C@H]1CCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine?
The InChIKey is PGTGAOAQNDOFNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-16-12-4-3-5-14(16)9-6-13-7-10-15(11-8-13)19(2,17)18/h7-8,10-11,14H,3-6,9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine?
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine has a molecular weight of 281.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine is sourced from PubChem (CID 97130537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).