1-fluoro-4-methylsulfonylpiperidine

C6H12FNO2S — CID 150260861

IUPAC1-fluoro-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(F)CC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6-2-4-8(7)5-3-6/h6H,2-5H2,1H3
InChIKeyGBNGUWQHJKSXLB-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds1

About 1-fluoro-4-methylsulfonylpiperidine

1-fluoro-4-methylsulfonylpiperidine (PubChem CID 150260861) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-fluoro-4-methylsulfonylpiperidine
PubChem CID150260861
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name1-fluoro-4-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1CCN(F)CC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6-2-4-8(7)5-3-6/h6H,2-5H2,1H3
InChIKeyGBNGUWQHJKSXLB-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfonylpiperidine?
The IUPAC name of 1-fluoro-4-methylsulfonylpiperidine (CID 150260861) is 1-fluoro-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-fluoro-4-methylsulfonylpiperidine?
The canonical SMILES for 1-fluoro-4-methylsulfonylpiperidine is CS(=O)(=O)C1CCN(F)CC1.
What is the InChIKey of 1-fluoro-4-methylsulfonylpiperidine?
The InChIKey is GBNGUWQHJKSXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)6-2-4-8(7)5-3-6/h6H,2-5H2,1H3.
What are the key properties of 1-fluoro-4-methylsulfonylpiperidine?
1-fluoro-4-methylsulfonylpiperidine has a molecular weight of 181.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfonylpiperidine is sourced from PubChem (CID 150260861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).