2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride

C9H16FNO3S — CID 165453303

IUPAC2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride
SMILESCC(=O)N1CCCCC1CCS(=O)(=O)F
InChIInChI=1S/C9H16FNO3S/c1-8(12)11-6-3-2-4-9(11)5-7-15(10,13)14/h9H,2-7H2,1H3
InChIKeyZEJSUEDAPUSDHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds3

About 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride

2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride (PubChem CID 165453303) has the molecular formula C9H16FNO3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride
PubChem CID165453303
Molecular FormulaC9H16FNO3S
Molecular Weight237.30 g/mol
Exact Mass237.08
IUPAC Name2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride
SMILESCC(=O)N1CCCCC1CCS(=O)(=O)F
InChIInChI=1S/C9H16FNO3S/c1-8(12)11-6-3-2-4-9(11)5-7-15(10,13)14/h9H,2-7H2,1H3
InChIKeyZEJSUEDAPUSDHC-UHFFFAOYSA-N
XLogP1.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride (CID 165453303) is 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride is CC(=O)N1CCCCC1CCS(=O)(=O)F.
What is the InChIKey of 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride?
The InChIKey is ZEJSUEDAPUSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3S/c1-8(12)11-6-3-2-4-9(11)5-7-15(10,13)14/h9H,2-7H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride?
2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride has a molecular weight of 237.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-2-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 165453303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).