1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone

C14H18FNOS — CID 115658685

IUPAC1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
SMILESCCC1CN(c2cccc(F)c2C(C)=O)CCS1
InChIInChI=1S/C14H18FNOS/c1-3-11-9-16(7-8-18-11)13-6-4-5-12(15)14(13)10(2)17/h4-6,11H,3,7-9H2,1-2H3
InChIKeyNBHFADKGIDTMQV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.36
Rot. Bonds3

About 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone

1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone (PubChem CID 115658685) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
PubChem CID115658685
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
SMILESCCC1CN(c2cccc(F)c2C(C)=O)CCS1
InChIInChI=1S/C14H18FNOS/c1-3-11-9-16(7-8-18-11)13-6-4-5-12(15)14(13)10(2)17/h4-6,11H,3,7-9H2,1-2H3
InChIKeyNBHFADKGIDTMQV-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone (CID 115658685) is 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone is CCC1CN(c2cccc(F)c2C(C)=O)CCS1.
What is the InChIKey of 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone?
The InChIKey is NBHFADKGIDTMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-3-11-9-16(7-8-18-11)13-6-4-5-12(15)14(13)10(2)17/h4-6,11H,3,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone?
1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone has a molecular weight of 267.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone is sourced from PubChem (CID 115658685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).