3-fluoro-1-methylsulfonylpiperidine

C6H12FNO2S — CID 91208429

IUPAC3-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(F)C1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3
InChIKeyISSDCPPBSAEYRZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds1

About 3-fluoro-1-methylsulfonylpiperidine

3-fluoro-1-methylsulfonylpiperidine (PubChem CID 91208429) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-fluoro-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-methylsulfonylpiperidine
PubChem CID91208429
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCC(F)C1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3
InChIKeyISSDCPPBSAEYRZ-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylsulfonylpiperidine?
The IUPAC name of 3-fluoro-1-methylsulfonylpiperidine (CID 91208429) is 3-fluoro-1-methylsulfonylpiperidine.
What is the SMILES notation for 3-fluoro-1-methylsulfonylpiperidine?
The canonical SMILES for 3-fluoro-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCC(F)C1.
What is the InChIKey of 3-fluoro-1-methylsulfonylpiperidine?
The InChIKey is ISSDCPPBSAEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3.
What are the key properties of 3-fluoro-1-methylsulfonylpiperidine?
3-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 3-fluoro-1-methylsulfonylpiperidine is sourced from PubChem (CID 91208429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).