(3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine

C13H17F2NO2S — CID 164633736

IUPAC(3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCC[C@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2NO2S/c1-2-19(17,18)16-7-3-4-10(9-16)12-8-11(14)5-6-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1
InChIKeyOIWAJLNVNCPTTQ-JTQLQIEISA-N
MW289.35 g/mol
LogP2.49
Rot. Bonds3

About (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine

(3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine (PubChem CID 164633736) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine
PubChem CID164633736
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name(3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine
SMILESCCS(=O)(=O)N1CCC[C@H](c2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2NO2S/c1-2-19(17,18)16-7-3-4-10(9-16)12-8-11(14)5-6-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1
InChIKeyOIWAJLNVNCPTTQ-JTQLQIEISA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ordopidine
CID 11701939
1-Phenylmethanesulfonyl-piperidine
CID 273955
Seridopidine
CID 11572784
4-Benzyl-1-(3-iodobenzylsulfonyl)piperidine
CID 71699218
4-Methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 801435
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510
4-(2,4-Difluorophenethyl)-1-(2-fluorophenylsulfonyl)piperidine
CID 44411864
4-(2,4-Difluorophenethyl)-1-(4-fluorophenylsulfonyl)piperidine
CID 44411933
4-(2,4-Difluorophenethyl)-1-(3-fluorophenylsulfonyl)piperidine
CID 44411934
1-[4,4-Bis(4-fluorophenyl)butyl]-4-[(4-methylphenyl)methylsulfonyl]piperazine
CID 53317762
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine?
The IUPAC name of (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine (CID 164633736) is (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine.
What is the SMILES notation for (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine?
The canonical SMILES for (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine is CCS(=O)(=O)N1CCC[C@H](c2cc(F)ccc2F)C1.
What is the InChIKey of (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine?
The InChIKey is OIWAJLNVNCPTTQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-2-19(17,18)16-7-3-4-10(9-16)12-8-11(14)5-6-13(12)15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m0/s1.
What are the key properties of (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine?
(3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine has a molecular weight of 289.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine is sourced from PubChem (CID 164633736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).