(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride

C12H18ClNO2S — CID 171195302

IUPAC(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C12H17NO2S.ClH/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12;/h5-8,12-13H,2-4,9H2,1H3;1H/t12-;/m1./s1
InChIKeyLNEHVNGUQGCNJZ-UTONKHPSSA-N
MW275.80 g/mol
LogP2.33
Rot. Bonds2

About (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride

(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride (PubChem CID 171195302) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
PubChem CID171195302
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C12H17NO2S.ClH/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12;/h5-8,12-13H,2-4,9H2,1H3;1H/t12-;/m1./s1
InChIKeyLNEHVNGUQGCNJZ-UTONKHPSSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride (CID 171195302) is (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride is CS(=O)(=O)c1ccc([C@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride?
The InChIKey is LNEHVNGUQGCNJZ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17NO2S.ClH/c1-16(14,15)11-7-5-10(6-8-11)12-4-2-3-9-13-12;/h5-8,12-13H,2-4,9H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride?
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride has a molecular weight of 275.80 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).