2-(4-methylphenyl)sulfonylpiperidine

C12H17NO2S — CID 117036507

IUPAC2-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCCCN2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-5-7-11(8-6-10)16(14,15)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3
InChIKeyUSJNFFGTABNHEE-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylpiperidine

2-(4-methylphenyl)sulfonylpiperidine (PubChem CID 117036507) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylpiperidine
PubChem CID117036507
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCCCN2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-5-7-11(8-6-10)16(14,15)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3
InChIKeyUSJNFFGTABNHEE-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)sulfonylpiperidine
CID 117036513
2-(3,4-dimethylphenyl)sulfonylpiperidine
CID 117036510
2-thiophen-2-ylsulfonylpiperidine
CID 117036522
2-(4-methyl-2-methylsulfonylphenyl)piperidine
CID 117386781
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
(4-methylphenyl)sulfonyl-[(2S)-pyrrolidin-2-yl]methanone
CID 175701962
(1R,2S,4S)-2-(4-methylphenyl)sulfonylbicyclo[2.2.1]heptane
CID 102426584
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
4-methylbenzenesulfonic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 87577597
1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
CID 12556444
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2-(4-methylphenyl)sulfonylpiperidine (CID 117036507) is 2-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)C2CCCCN2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is USJNFFGTABNHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-7-11(8-6-10)16(14,15)12-4-2-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylpiperidine?
2-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 239.34 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 2-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 117036507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).