2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone

C13H16FNO2S — CID 43390825

IUPAC2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CSc1ccccc1F)N1CCCC(O)C1
InChIInChI=1S/C13H16FNO2S/c14-11-5-1-2-6-12(11)18-9-13(17)15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyGEVWAGDGQHKJJR-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone

2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 43390825) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID43390825
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CSc1ccccc1F)N1CCCC(O)C1
InChIInChI=1S/C13H16FNO2S/c14-11-5-1-2-6-12(11)18-9-13(17)15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyGEVWAGDGQHKJJR-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
1-[3-(4-Fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
CID 2809875
1-(2,6-Dimethylmorpholin-4-yl)-2-phenylsulfanylethanone
CID 4387420
2-((4-Fluorophenyl)thio)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764649
2-(4-Fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 19858420
1-(2-Fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
CID 54355213
[3-(4-Fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 134373652
(3R,4S,5S)-5-(4-fluorophenyl)sulfanylpiperidine-3,4-diol
CID 134386684
Propan-2-ol, 1-phenylthio-3-(1-piperidyl)-
CID 566535
4-Hydroxy-5-(phenylsulfanyl)-1-(piperidin-1-yl)pentan-1-one
CID 129755433
4-Hydroxy-5-(phenylsulfanyl)-1-(pyrrolidin-1-yl)pentan-1-one
CID 129755457
5-Hydroxy-1-(piperidin-1-yl)-6-(phenylsulfanyl) hexan-1-one
CID 129757329

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone (CID 43390825) is 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(CSc1ccccc1F)N1CCCC(O)C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is GEVWAGDGQHKJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c14-11-5-1-2-6-12(11)18-9-13(17)15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43390825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).