4-methyl-1-(4-methylphenyl)sulfonylpiperidine

C13H19NO2S — CID 755367

IUPAC4-methyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-3-5-13(6-4-11)17(15,16)14-9-7-12(2)8-10-14/h3-6,12H,7-10H2,1-2H3
InChIKeyFSXZHPKASQRHDG-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds2

About 4-methyl-1-(4-methylphenyl)sulfonylpiperidine

4-methyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 755367) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID755367
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-methyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-3-5-13(6-4-11)17(15,16)14-9-7-12(2)8-10-14/h3-6,12H,7-10H2,1-2H3
InChIKeyFSXZHPKASQRHDG-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(4-methylphenyl)sulfonylpiperidine 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 4-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-methyl-1-(4-methylphenyl)sulfonylpiperidine (CID 755367) is 4-methyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is FSXZHPKASQRHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-3-5-13(6-4-11)17(15,16)14-9-7-12(2)8-10-14/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)sulfonylpiperidine?
4-methyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 755367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).