2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine

C14H20FNO2S — CID 114015298

IUPAC2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
SMILESCN1CCCCC1CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-16-10-3-2-4-13(16)9-11-19(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3
InChIKeyCESVKZDJEJRPMB-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.47
Rot. Bonds4

About 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine

2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine (PubChem CID 114015298) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
PubChem CID114015298
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine
SMILESCN1CCCCC1CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-16-10-3-2-4-13(16)9-11-19(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3
InChIKeyCESVKZDJEJRPMB-UHFFFAOYSA-N
XLogP2.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluorophenyl)sulfonylethyl]-1-methylpiperidine
CID 107914272
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537
4-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfonyl]aniline
CID 107914496
(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254
2-(cyclohexylmethyl)-7-[3-[(2S)-1-methylpyrrolidin-2-yl]propylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 147852794
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
N,N-dimethyl-1-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-oxopyridine-3-sulfonamide
CID 95264638
2-(2-bromoethyl)-1-(4-propylsulfonylphenyl)piperidine
CID 80655620
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine (CID 114015298) is 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine is CN1CCCCC1CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
The InChIKey is CESVKZDJEJRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-16-10-3-2-4-13(16)9-11-19(17,18)14-7-5-12(15)6-8-14/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine?
2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine has a molecular weight of 285.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfonylethyl]-1-methylpiperidine is sourced from PubChem (CID 114015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).