2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone

C13H15Cl2NOS — CID 103595311

IUPAC2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCN1CCSCC1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NOS/c1-16-4-5-18-8-12(16)13(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyWLNCCYSAVJXZOR-UHFFFAOYSA-N
MW304.24 g/mol
LogP3.15
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone

2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone (PubChem CID 103595311) has the molecular formula C13H15Cl2NOS and a molecular weight of 304.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
PubChem CID103595311
Molecular FormulaC13H15Cl2NOS
Molecular Weight304.24 g/mol
Exact Mass303.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCN1CCSCC1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NOS/c1-16-4-5-18-8-12(16)13(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,12H,4-5,7-8H2,1H3
InChIKeyWLNCCYSAVJXZOR-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-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

2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658392
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 103595309
1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 103595434
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylthiomorpholin-3-yl)propan-1-one
CID 103595482
2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone
CID 15730161
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
CID 107359505
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 114166030
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 103595167
3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
CID 103595186
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595353

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone (CID 103595311) is 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone is CN1CCSCC1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The InChIKey is WLNCCYSAVJXZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NOS/c1-16-4-5-18-8-12(16)13(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,12H,4-5,7-8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone has a molecular weight of 304.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone is sourced from PubChem (CID 103595311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).