2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone

C11H15NOS — CID 117299466

IUPAC2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone
SMILESCSc1cc(C)c(C)cc1C(=O)CN
InChIInChI=1S/C11H15NOS/c1-7-4-9(10(13)6-12)11(14-3)5-8(7)2/h4-5H,6,12H2,1-3H3
InChIKeyJISAZLGQETXJNG-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone

2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone (PubChem CID 117299466) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone
PubChem CID117299466
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone
SMILESCSc1cc(C)c(C)cc1C(=O)CN
InChIInChI=1S/C11H15NOS/c1-7-4-9(10(13)6-12)11(14-3)5-8(7)2/h4-5H,6,12H2,1-3H3
InChIKeyJISAZLGQETXJNG-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-(2-fluoro-4-methyl-5-methylsulfonylphenyl)ethanone
CID 117364606
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone (CID 117299466) is 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone is CSc1cc(C)c(C)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone?
The InChIKey is JISAZLGQETXJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-4-9(10(13)6-12)11(14-3)5-8(7)2/h4-5H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone?
2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone has a molecular weight of 209.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 117299466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).