2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone

C12H14FNOS — CID 116609502

IUPAC2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1ccc(F)cc1)C1CSCCN1
InChIInChI=1S/C12H14FNOS/c13-10-3-1-9(2-4-10)7-12(15)11-8-16-6-5-14-11/h1-4,11,14H,5-8H2
InChIKeyLOTYDKQIGMTOPK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone

2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609502) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
PubChem CID116609502
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1ccc(F)cc1)C1CSCCN1
InChIInChI=1S/C12H14FNOS/c13-10-3-1-9(2-4-10)7-12(15)11-8-16-6-5-14-11/h1-4,11,14H,5-8H2
InChIKeyLOTYDKQIGMTOPK-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone 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

2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
3-[2-(4-fluorophenyl)acetyl]thian-4-one
CID 59333708
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
CID 130857171
N-[(2,4-difluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909229
(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
2-(2-methyl-1,2,4-triazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609655
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone (CID 116609502) is 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone is O=C(Cc1ccc(F)cc1)C1CSCCN1.
What is the InChIKey of 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
The InChIKey is LOTYDKQIGMTOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c13-10-3-1-9(2-4-10)7-12(15)11-8-16-6-5-14-11/h1-4,11,14H,5-8H2.
What are the key properties of 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone?
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone has a molecular weight of 239.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).