1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone

C14H21NOS — CID 112661926

IUPAC1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H21NOS/c1-11-5-6-13(12(2)9-11)14(16)10-15(3)7-8-17-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyYXTFPZVXTBVVKL-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.78
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (PubChem CID 112661926) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
PubChem CID112661926
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
SMILESCSCCN(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H21NOS/c1-11-5-6-13(12(2)9-11)14(16)10-15(3)7-8-17-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyYXTFPZVXTBVVKL-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone (CID 112661926) is 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is CSCCN(C)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
The InChIKey is YXTFPZVXTBVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-5-6-13(12(2)9-11)14(16)10-15(3)7-8-17-4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone has a molecular weight of 251.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone is sourced from PubChem (CID 112661926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).