1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine

C15H20F3NO2S — CID 2822183

IUPAC1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
SMILESCc1ccc(S(=O)(=O)CCN2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H20F3NO2S/c1-12-2-4-14(5-3-12)22(20,21)11-10-19-8-6-13(7-9-19)15(16,17)18/h2-5,13H,6-11H2,1H3
InChIKeyYSHOVNSLNMWOGX-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine

1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine (PubChem CID 2822183) has the molecular formula C15H20F3NO2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
PubChem CID2822183
Molecular FormulaC15H20F3NO2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC Name1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
SMILESCc1ccc(S(=O)(=O)CCN2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H20F3NO2S/c1-12-2-4-14(5-3-12)22(20,21)11-10-19-8-6-13(7-9-19)15(16,17)18/h2-5,13H,6-11H2,1H3
InChIKeyYSHOVNSLNMWOGX-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 597268
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152
[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol
CID 111564963
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
1-[(3R,4S)-3-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine
CID 58697065
3-[4-(trifluoromethyl)piperidin-1-yl]propane-1-sulfonyl chloride
CID 112594737
1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 154455916
1-methyl-4-(4,4,4-trifluorobutylsulfonyl)benzene
CID 129132136
1-[4-methyl-4-(2-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine
CID 21048843
1-(3-methylphenyl)sulfonyl-2-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 123679283
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920924
4-[2-(3-methoxypyrrolidin-1-yl)ethylsulfonyl]benzoic acid
CID 103540436

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine (CID 2822183) is 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine is Cc1ccc(S(=O)(=O)CCN2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
The InChIKey is YSHOVNSLNMWOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2S/c1-12-2-4-14(5-3-12)22(20,21)11-10-19-8-6-13(7-9-19)15(16,17)18/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine has a molecular weight of 335.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 2822183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).