3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one

C11H12FNO2S — CID 170053253

IUPAC3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one
SMILESO=C1NC(O)CCC1Sc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2S/c12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15/h1-4,9-10,14H,5-6H2,(H,13,15)
InChIKeyZMMFKJJEXWDCAN-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.51
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one

3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one (PubChem CID 170053253) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one
PubChem CID170053253
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one
SMILESO=C1NC(O)CCC1Sc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2S/c12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15/h1-4,9-10,14H,5-6H2,(H,13,15)
InChIKeyZMMFKJJEXWDCAN-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one (CID 170053253) is 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one is O=C1NC(O)CCC1Sc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one?
The InChIKey is ZMMFKJJEXWDCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c12-7-1-3-8(4-2-7)16-9-5-6-10(14)13-11(9)15/h1-4,9-10,14H,5-6H2,(H,13,15).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one?
3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-6-hydroxypiperidin-2-one is sourced from PubChem (CID 170053253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).