(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine

C13H17F2NO2S — CID 2409021

IUPAC(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyQOXOOHHITIKMMG-UWVGGRQHSA-N
MW289.35 g/mol
LogP2.63
Rot. Bonds2

About (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine

(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 2409021) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID2409021
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyQOXOOHHITIKMMG-UWVGGRQHSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585524
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
1-(2-fluoro-4-methylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105615
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105668
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2-bromo-5-fluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105860
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 22202137

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine (CID 2409021) is (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine is C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is QOXOOHHITIKMMG-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-9-5-10(2)8-16(7-9)19(17,18)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 289.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 2409021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).