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

C14H21NO3S — CID 79850026

IUPAC1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCS(C)(=O)=O)cc1C
InChIInChI=1S/C14H21NO3S/c1-11-5-6-13(9-12(11)2)14(16)10-15(3)7-8-19(4,17)18/h5-6,9H,7-8,10H2,1-4H3
InChIKeyPSYATLKHTWDXBS-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.46
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (PubChem CID 79850026) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
PubChem CID79850026
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)CCS(C)(=O)=O)cc1C
InChIInChI=1S/C14H21NO3S/c1-11-5-6-13(9-12(11)2)14(16)10-15(3)7-8-19(4,17)18/h5-6,9H,7-8,10H2,1-4H3
InChIKeyPSYATLKHTWDXBS-UHFFFAOYSA-N
XLogP1.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(3,4-dimethylphenyl)ethanone
CID 63701272
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875
1-(3,4-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanone
CID 60913050
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207519
1-(3,4-dimethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650744
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795100
1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850207
1-(3,4-dimethylphenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950501
1-(3,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)propan-1-one
CID 64644111

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (CID 79850026) is 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is Cc1ccc(C(=O)CN(C)CCS(C)(=O)=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The InChIKey is PSYATLKHTWDXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-5-6-13(9-12(11)2)14(16)10-15(3)7-8-19(4,17)18/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone has a molecular weight of 283.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is sourced from PubChem (CID 79850026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).