1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone

C15H23NOS — CID 114237487

IUPAC1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
SMILESCSCCCN(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NOS/c1-12-6-7-14(13(2)10-12)15(17)11-16(3)8-5-9-18-4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyBAQYJMJZZMOQRB-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.17
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone (PubChem CID 114237487) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
PubChem CID114237487
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
SMILESCSCCCN(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NOS/c1-12-6-7-14(13(2)10-12)15(17)11-16(3)8-5-9-18-4/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyBAQYJMJZZMOQRB-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486033
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
1-(3-bromo-4-methoxyphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237489
3-[methyl(2-methylsulfanylethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 112664511
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone (CID 114237487) is 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone is CSCCCN(C)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone?
The InChIKey is BAQYJMJZZMOQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-6-7-14(13(2)10-12)15(17)11-16(3)8-5-9-18-4/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone has a molecular weight of 265.42 g/mol, XLogP of 3.17, 7 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(3-methylsulfanylpropyl)amino]ethanone is sourced from PubChem (CID 114237487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).