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

C13H19NO2S — CID 2842402

IUPAC3-methyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-5-7-13(8-6-11)17(15,16)14-9-3-4-12(2)10-14/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyAPEUUQFQRICNLZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds2

About 3-methyl-1-(4-methylphenyl)sulfonylpiperidine

3-methyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 2842402) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID2842402
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-methyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-5-7-13(8-6-11)17(15,16)14-9-3-4-12(2)10-14/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyAPEUUQFQRICNLZ-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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpiperidine (CID 2842402) is 3-methyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is APEUUQFQRICNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-5-7-13(8-6-11)17(15,16)14-9-3-4-12(2)10-14/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)sulfonylpiperidine?
3-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 3-methyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 2842402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).