4-fluoro-1-methylsulfonylpiperidine

C6H12FNO2S — CID 89427838

IUPAC4-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(F)CC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKeyZBVQJYPWYLSPHL-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds1

About 4-fluoro-1-methylsulfonylpiperidine

4-fluoro-1-methylsulfonylpiperidine (PubChem CID 89427838) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-fluoro-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-methylsulfonylpiperidine
PubChem CID89427838
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name4-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(F)CC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKeyZBVQJYPWYLSPHL-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-piperidinomethane sulfonate
CID 10420128
1-((Trifluoromethyl)sulfonyl)piperidine
CID 11085234
1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
N-(4-fluoropentyl)-N-methylmethanesulfonamide
CID 141682510
4-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 165041438
1-Methanesulfonylpiperidine
CID 273952
1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
1-(3-Fluoropropylsulfonyl)piperidine
CID 129349168
(1-Fluoropiperidin-1-ium-1-yl) methanesulfonate
CID 57107527
1-(1,1-Difluoroethylsulfonyl)piperidine
CID 58122750
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylsulfonylpiperidine?
The IUPAC name of 4-fluoro-1-methylsulfonylpiperidine (CID 89427838) is 4-fluoro-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-fluoro-1-methylsulfonylpiperidine?
The canonical SMILES for 4-fluoro-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-methylsulfonylpiperidine?
The InChIKey is ZBVQJYPWYLSPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-6(7)3-5-8/h6H,2-5H2,1H3.
What are the key properties of 4-fluoro-1-methylsulfonylpiperidine?
4-fluoro-1-methylsulfonylpiperidine has a molecular weight of 181.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylsulfonylpiperidine is sourced from PubChem (CID 89427838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).