1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine

C13H17F2NO2S — CID 3840755

IUPAC1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2NO2S/c1-9-6-10(2)8-16(7-9)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyBLSPWMYREXUEIT-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.63
Rot. Bonds2

About 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine

1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 3840755) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID3840755
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H17F2NO2S/c1-9-6-10(2)8-16(7-9)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyBLSPWMYREXUEIT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine (CID 3840755) is 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine is CC1CC(C)CN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is BLSPWMYREXUEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c1-9-6-10(2)8-16(7-9)19(17,18)13-11(14)4-3-5-12(13)15/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine?
1-(2,6-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 1-(2,6-difluorophenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 3840755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).