3-(4-methyl-2-methylsulfonylphenyl)piperidine

C13H19NO2S — CID 117386774

IUPAC3-(4-methyl-2-methylsulfonylphenyl)piperidine
SMILESCc1ccc(C2CCCNC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO2S/c1-10-5-6-12(11-4-3-7-14-9-11)13(8-10)17(2,15)16/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyAANZPXCKWMJAGB-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.87
Rot. Bonds2

About 3-(4-methyl-2-methylsulfonylphenyl)piperidine

3-(4-methyl-2-methylsulfonylphenyl)piperidine (PubChem CID 117386774) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-(4-methyl-2-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name3-(4-methyl-2-methylsulfonylphenyl)piperidine
PubChem CID117386774
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-(4-methyl-2-methylsulfonylphenyl)piperidine
SMILESCc1ccc(C2CCCNC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO2S/c1-10-5-6-12(11-4-3-7-14-9-11)13(8-10)17(2,15)16/h5-6,8,11,14H,3-4,7,9H2,1-2H3
InChIKeyAANZPXCKWMJAGB-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylsulfonylphenyl)piperidine
CID 82388241
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
3-(2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117426853
3-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463652
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117407174
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 92614938
2,5-dimethyl-3-methylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964596

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-methylsulfonylphenyl)piperidine?
The IUPAC name of 3-(4-methyl-2-methylsulfonylphenyl)piperidine (CID 117386774) is 3-(4-methyl-2-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 3-(4-methyl-2-methylsulfonylphenyl)piperidine?
The canonical SMILES for 3-(4-methyl-2-methylsulfonylphenyl)piperidine is Cc1ccc(C2CCCNC2)c(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-methyl-2-methylsulfonylphenyl)piperidine?
The InChIKey is AANZPXCKWMJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-5-6-12(11-4-3-7-14-9-11)13(8-10)17(2,15)16/h5-6,8,11,14H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(4-methyl-2-methylsulfonylphenyl)piperidine?
3-(4-methyl-2-methylsulfonylphenyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117386774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).