1-[4-(2-methylsulfinylethylamino)phenyl]ethanone

C11H15NO2S — CID 114468465

IUPAC1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCS(C)=O)cc1
InChIInChI=1S/C11H15NO2S/c1-9(13)10-3-5-11(6-4-10)12-7-8-15(2)14/h3-6,12H,7-8H2,1-2H3
InChIKeyXUJCVMANQMZOER-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.68
Rot. Bonds5

About 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone

1-[4-(2-methylsulfinylethylamino)phenyl]ethanone (PubChem CID 114468465) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
PubChem CID114468465
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[4-(2-methylsulfinylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCS(C)=O)cc1
InChIInChI=1S/C11H15NO2S/c1-9(13)10-3-5-11(6-4-10)12-7-8-15(2)14/h3-6,12H,7-8H2,1-2H3
InChIKeyXUJCVMANQMZOER-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propylamino)phenyl]ethanone
CID 7304598
(4-acetylanilino)methanesulfinic acid
CID 175150534
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
N-(4-acetylphenyl)-2-methylpropane-2-sulfinamide
CID 76528850
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521
4-(2-methylsulfinylethylcarbamoylamino)benzoic acid
CID 113480280
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone (CID 114468465) is 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone is CC(=O)c1ccc(NCCS(C)=O)cc1.
What is the InChIKey of 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone?
The InChIKey is XUJCVMANQMZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(13)10-3-5-11(6-4-10)12-7-8-15(2)14/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone?
1-[4-(2-methylsulfinylethylamino)phenyl]ethanone has a molecular weight of 225.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylsulfinylethylamino)phenyl]ethanone is sourced from PubChem (CID 114468465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).