3-fluoro-4-methylsulfonylpiperidine

C6H12FNO2S — CID 123233741

IUPAC3-fluoro-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCNCC1F
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyXNIBAWOOLYSJTB-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.27
Rot. Bonds1

About 3-fluoro-4-methylsulfonylpiperidine

3-fluoro-4-methylsulfonylpiperidine (PubChem CID 123233741) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-fluoro-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-methylsulfonylpiperidine
PubChem CID123233741
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-fluoro-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCNCC1F
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyXNIBAWOOLYSJTB-UHFFFAOYSA-N
XLogP-0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl-4-piperidinesulfonamide
CID 52326748
3-Methanesulfonylpiperidine
CID 22275823
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
N-methylpiperidine-3-sulfonamide
CID 24711203
4-(Propane-1-sulfonyl)piperidine hydrochloride
CID 66686902
4-(Ethanesulfonyl)piperidine hydrochloride
CID 67529535
4-(Propane-2-sulfonyl)piperidine hydrochloride
CID 71757881
4-(Methanesulfonyl)piperidine
CID 22275038
Piperidine-4-sulfonyl fluoride
CID 87150313
(R)-3-(Methylsulfonyl)piperidine hydrochloride
CID 122170300
Piperidine-3-sulfonyl fluoride hydrochloride
CID 132327883
4-Difluoromethanesulfonylpiperidine hydrochloride
CID 154814546

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylsulfonylpiperidine?
The IUPAC name of 3-fluoro-4-methylsulfonylpiperidine (CID 123233741) is 3-fluoro-4-methylsulfonylpiperidine.
What is the SMILES notation for 3-fluoro-4-methylsulfonylpiperidine?
The canonical SMILES for 3-fluoro-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCNCC1F.
What is the InChIKey of 3-fluoro-4-methylsulfonylpiperidine?
The InChIKey is XNIBAWOOLYSJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)6-2-3-8-4-5(6)7/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-fluoro-4-methylsulfonylpiperidine?
3-fluoro-4-methylsulfonylpiperidine has a molecular weight of 181.23 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylsulfonylpiperidine is sourced from PubChem (CID 123233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).