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

C13H19NO2S — CID 117386781

IUPAC2-(4-methyl-2-methylsulfonylphenyl)piperidine
SMILESCc1ccc(C2CCCCN2)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO2S/c1-10-6-7-11(12-5-3-4-8-14-12)13(9-10)17(2,15)16/h6-7,9,12,14H,3-5,8H2,1-2H3
InChIKeyNAHHTEIVQNZRLY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.21
Rot. Bonds2

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

2-(4-methyl-2-methylsulfonylphenyl)piperidine (PubChem CID 117386781) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-methyl-2-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name2-(4-methyl-2-methylsulfonylphenyl)piperidine
PubChem CID117386781
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-methyl-2-methylsulfonylphenyl)piperidine
SMILESCc1ccc(C2CCCCN2)c(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO2S/c1-10-6-7-11(12-5-3-4-8-14-12)13(9-10)17(2,15)16/h6-7,9,12,14H,3-5,8H2,1-2H3
InChIKeyNAHHTEIVQNZRLY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
CID 117482426
3-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386774
2-(2-chloro-6-methylsulfonylphenyl)piperidine
CID 117437278
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
CID 117489419
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
2-methylsulfonyl-5-piperidin-2-ylphenol
CID 117391593
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
2-(3-methylsulfonylphenyl)azepane
CID 62544544
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylsulfonylphenyl)piperidine?
The IUPAC name of 2-(4-methyl-2-methylsulfonylphenyl)piperidine (CID 117386781) is 2-(4-methyl-2-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 2-(4-methyl-2-methylsulfonylphenyl)piperidine?
The canonical SMILES for 2-(4-methyl-2-methylsulfonylphenyl)piperidine is Cc1ccc(C2CCCCN2)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-methyl-2-methylsulfonylphenyl)piperidine?
The InChIKey is NAHHTEIVQNZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-6-7-11(12-5-3-4-8-14-12)13(9-10)17(2,15)16/h6-7,9,12,14H,3-5,8H2,1-2H3.
What are the key properties of 2-(4-methyl-2-methylsulfonylphenyl)piperidine?
2-(4-methyl-2-methylsulfonylphenyl)piperidine has a molecular weight of 253.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 117386781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).