(3S)-3-fluoro-1-methylsulfonylpiperidine

C6H12FNO2S — CID 156638689

IUPAC(3S)-3-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC[C@H](F)C1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyISSDCPPBSAEYRZ-LURJTMIESA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds1

About (3S)-3-fluoro-1-methylsulfonylpiperidine

(3S)-3-fluoro-1-methylsulfonylpiperidine (PubChem CID 156638689) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is (3S)-3-fluoro-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-methylsulfonylpiperidine
PubChem CID156638689
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name(3S)-3-fluoro-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC[C@H](F)C1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyISSDCPPBSAEYRZ-LURJTMIESA-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 (3S)-3-fluoro-1-methylsulfonylpiperidine?
The IUPAC name of (3S)-3-fluoro-1-methylsulfonylpiperidine (CID 156638689) is (3S)-3-fluoro-1-methylsulfonylpiperidine.
What is the SMILES notation for (3S)-3-fluoro-1-methylsulfonylpiperidine?
The canonical SMILES for (3S)-3-fluoro-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-methylsulfonylpiperidine?
The InChIKey is ISSDCPPBSAEYRZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(7)5-8/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-methylsulfonylpiperidine?
(3S)-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 (3S)-3-fluoro-1-methylsulfonylpiperidine is sourced from PubChem (CID 156638689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).