4-methylsulfonylpiperidine-1-sulfonyl fluoride

C6H12FNO4S2 — CID 135564435

IUPAC4-methylsulfonylpiperidine-1-sulfonyl fluoride
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO4S2/c1-13(9,10)6-2-4-8(5-3-6)14(7,11)12/h6H,2-5H2,1H3
InChIKeyWCFYGSXBJVCEKM-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.29
Rot. Bonds2

About 4-methylsulfonylpiperidine-1-sulfonyl fluoride

4-methylsulfonylpiperidine-1-sulfonyl fluoride (PubChem CID 135564435) has the molecular formula C6H12FNO4S2 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-methylsulfonylpiperidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylsulfonylpiperidine-1-sulfonyl fluoride
PubChem CID135564435
Molecular FormulaC6H12FNO4S2
Molecular Weight245.30 g/mol
Exact Mass245.02
IUPAC Name4-methylsulfonylpiperidine-1-sulfonyl fluoride
SMILESCS(=O)(=O)C1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO4S2/c1-13(9,10)6-2-4-8(5-3-6)14(7,11)12/h6H,2-5H2,1H3
InChIKeyWCFYGSXBJVCEKM-UHFFFAOYSA-N
XLogP-0.29
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpiperidine-1-sulfonyl fluoride?
The IUPAC name of 4-methylsulfonylpiperidine-1-sulfonyl fluoride (CID 135564435) is 4-methylsulfonylpiperidine-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylsulfonylpiperidine-1-sulfonyl fluoride?
The canonical SMILES for 4-methylsulfonylpiperidine-1-sulfonyl fluoride is CS(=O)(=O)C1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of 4-methylsulfonylpiperidine-1-sulfonyl fluoride?
The InChIKey is WCFYGSXBJVCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO4S2/c1-13(9,10)6-2-4-8(5-3-6)14(7,11)12/h6H,2-5H2,1H3.
What are the key properties of 4-methylsulfonylpiperidine-1-sulfonyl fluoride?
4-methylsulfonylpiperidine-1-sulfonyl fluoride has a molecular weight of 245.30 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpiperidine-1-sulfonyl fluoride is sourced from PubChem (CID 135564435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).