1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone

C13H15NO3S — CID 157401407

IUPAC1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone
SMILESCC(=O)C1=Cc2ccccc2N(S(C)(=O)=O)[C@@H]1C
InChIInChI=1S/C13H15NO3S/c1-9-12(10(2)15)8-11-6-4-5-7-13(11)14(9)18(3,16)17/h4-9H,1-3H3/t9-/m1/s1
InChIKeyNNODICPRPDRDDA-SECBINFHSA-N
MW265.33 g/mol
LogP1.83
Rot. Bonds2

About 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone

1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone (PubChem CID 157401407) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone
PubChem CID157401407
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone
SMILESCC(=O)C1=Cc2ccccc2N(S(C)(=O)=O)[C@@H]1C
InChIInChI=1S/C13H15NO3S/c1-9-12(10(2)15)8-11-6-4-5-7-13(11)14(9)18(3,16)17/h4-9H,1-3H3/t9-/m1/s1
InChIKeyNNODICPRPDRDDA-SECBINFHSA-N
XLogP1.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone (CID 157401407) is 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone is CC(=O)C1=Cc2ccccc2N(S(C)(=O)=O)[C@@H]1C.
What is the InChIKey of 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone?
The InChIKey is NNODICPRPDRDDA-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-12(10(2)15)8-11-6-4-5-7-13(11)14(9)18(3,16)17/h4-9H,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone?
1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone has a molecular weight of 265.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-1-methylsulfonyl-2H-quinolin-3-yl]ethanone is sourced from PubChem (CID 157401407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).