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

C13H19NO2S — CID 71189168

IUPAC1-methyl-4-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-3-5-12(6-4-11)17(15,16)13-7-9-14(2)10-8-13/h3-6,13H,7-10H2,1-2H3
InChIKeyZLHOWNHKTHIEOI-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.86
Rot. Bonds2

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

1-methyl-4-(4-methylphenyl)sulfonylpiperidine (PubChem CID 71189168) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)sulfonylpiperidine
PubChem CID71189168
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-methyl-4-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-3-5-12(6-4-11)17(15,16)13-7-9-14(2)10-8-13/h3-6,13H,7-10H2,1-2H3
InChIKeyZLHOWNHKTHIEOI-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
CID 24731921
3-[4-(4-methylphenyl)sulfonylcyclohexyl]propanoic acid
CID 67564661
N-methyl-3-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 64716296
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
(1-methylpiperidin-4-yl) N-(4-methylphenyl)sulfonylbenzenecarboximidate;hydrochloride
CID 75105051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-methyl-4-(4-methylphenyl)sulfonylpiperidine (CID 71189168) is 1-methyl-4-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is ZLHOWNHKTHIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-3-5-12(6-4-11)17(15,16)13-7-9-14(2)10-8-13/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)sulfonylpiperidine?
1-methyl-4-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 71189168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).