1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone

C12H15Cl2NOS — CID 112661947

IUPAC1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-15(5-6-17-2)8-12(16)10-7-9(13)3-4-11(10)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRWGKACCDUAPYKO-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.47
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone

1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (PubChem CID 112661947) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
PubChem CID112661947
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NOS/c1-15(5-6-17-2)8-12(16)10-7-9(13)3-4-11(10)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyRWGKACCDUAPYKO-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]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-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112700724
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661989
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 62037111
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950486
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237487

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (CID 112661947) is 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is CSCCN(C)CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The InChIKey is RWGKACCDUAPYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c1-15(5-6-17-2)8-12(16)10-7-9(13)3-4-11(10)14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone has a molecular weight of 292.23 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is sourced from PubChem (CID 112661947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).