1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one

C13H16N2O3S — CID 81244482

IUPAC1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCCS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c1-15-12-6-4-3-5-10(12)11(9-13(15)16)14-7-8-19(2,17)18/h3-6,9,14H,7-8H2,1-2H3
InChIKeyYMIPLXCMNOIXFO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.00
Rot. Bonds4

About 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one

1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one (PubChem CID 81244482) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
PubChem CID81244482
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCCS(C)(=O)=O)c2ccccc21
InChIInChI=1S/C13H16N2O3S/c1-15-12-6-4-3-5-10(12)11(9-13(15)16)14-7-8-19(2,17)18/h3-6,9,14H,7-8H2,1-2H3
InChIKeyYMIPLXCMNOIXFO-UHFFFAOYSA-N
XLogP1.00
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one?
The IUPAC name of 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one (CID 81244482) is 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one is Cn1c(=O)cc(NCCS(C)(=O)=O)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one?
The InChIKey is YMIPLXCMNOIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-15-12-6-4-3-5-10(12)11(9-13(15)16)14-7-8-19(2,17)18/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one?
1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylsulfonylethylamino)quinolin-2-one is sourced from PubChem (CID 81244482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).