2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone

C12H14FNO2S — CID 55131919

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(O)C1
InChIInChI=1S/C12H14FNO2S/c13-9-1-3-11(4-2-9)17-8-12(16)14-6-5-10(15)7-14/h1-4,10,15H,5-8H2
InChIKeyDITCYPDQRAIJPW-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.51
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 55131919) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID55131919
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(O)C1
InChIInChI=1S/C12H14FNO2S/c13-9-1-3-11(4-2-9)17-8-12(16)14-6-5-10(15)7-14/h1-4,10,15H,5-8H2
InChIKeyDITCYPDQRAIJPW-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(Benzenesulfonyl)-2-hydroxypropyl]pyrrolidin-2-one
CID 2726018
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
3-(benzenesulfonyl)-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 164639278
1-[(4-Fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68571124
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
1-[3-(4-Fluorophenyl)sulfinylpyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one
CID 134374333
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140507732
(3S,4R)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140545345
(3S,4R)-1-ethyl-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 145736769
4-Hydroxy-5-(phenylsulfanyl)-1-(pyrrolidin-1-yl)pentan-1-one
CID 129755457
(2s,3s,4s)-3-hydroxy-4-phenylthio-2-propyl-N-(methoxycarbonyl)pyrrolidine
CID 163183584
2,2,2-trifluoro-N-(2-hydroxy-3-phenylsulfanylpropyl)acetamide
CID 13777309

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 55131919) is 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CSc1ccc(F)cc1)N1CCC(O)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is DITCYPDQRAIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-9-1-3-11(4-2-9)17-8-12(16)14-6-5-10(15)7-14/h1-4,10,15H,5-8H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 255.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 55131919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).