1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone

C13H16FNO2S — CID 62052732

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
SMILESCOc1ccc(C(=O)CN2CCSCC2)cc1F
InChIInChI=1S/C13H16FNO2S/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyNGICTFNMWSJPLV-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone

1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone (PubChem CID 62052732) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
PubChem CID62052732
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
SMILESCOc1ccc(C(=O)CN2CCSCC2)cc1F
InChIInChI=1S/C13H16FNO2S/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyNGICTFNMWSJPLV-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-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

1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987
1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62972902
1-(3-fluoro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205009
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
2-(4-acetylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)ethanone
CID 110368777
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
1-(3-amino-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 82164279

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone (CID 62052732) is 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone is COc1ccc(C(=O)CN2CCSCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone?
The InChIKey is NGICTFNMWSJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone?
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone has a molecular weight of 269.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 62052732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).