3,3-difluoro-1-methylsulfonylpiperidine

C6H11F2NO2S — CID 164644528

IUPAC3,3-difluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)9-4-2-3-6(7,8)5-9/h2-5H2,1H3
InChIKeyXGVVQAMGKXYLJY-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.68
Rot. Bonds1

About 3,3-difluoro-1-methylsulfonylpiperidine

3,3-difluoro-1-methylsulfonylpiperidine (PubChem CID 164644528) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3-difluoro-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methylsulfonylpiperidine
PubChem CID164644528
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name3,3-difluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)9-4-2-3-6(7,8)5-9/h2-5H2,1H3
InChIKeyXGVVQAMGKXYLJY-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 166713434
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3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane
CID 153061234
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
3,3-difluoro-1-iodopiperidine
CID 121306760
5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
CID 163234157
8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
CID 164922505
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylsulfonylpiperidine?
The IUPAC name of 3,3-difluoro-1-methylsulfonylpiperidine (CID 164644528) is 3,3-difluoro-1-methylsulfonylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-methylsulfonylpiperidine?
The canonical SMILES for 3,3-difluoro-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylsulfonylpiperidine?
The InChIKey is XGVVQAMGKXYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-12(10,11)9-4-2-3-6(7,8)5-9/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-methylsulfonylpiperidine?
3,3-difluoro-1-methylsulfonylpiperidine has a molecular weight of 199.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylsulfonylpiperidine is sourced from PubChem (CID 164644528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).