6-methyl-2-methylsulfonylquinoline

C11H11NO2S — CID 138563727

IUPAC6-methyl-2-methylsulfonylquinoline
SMILESCc1ccc2nc(S(C)(=O)=O)ccc2c1
InChIInChI=1S/C11H11NO2S/c1-8-3-5-10-9(7-8)4-6-11(12-10)15(2,13)14/h3-7H,1-2H3
InChIKeyZYNRGBGBRVAJHP-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.95
Rot. Bonds1

About 6-methyl-2-methylsulfonylquinoline

6-methyl-2-methylsulfonylquinoline (PubChem CID 138563727) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 6-methyl-2-methylsulfonylquinoline.

Molecular Properties

Compound Name6-methyl-2-methylsulfonylquinoline
PubChem CID138563727
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name6-methyl-2-methylsulfonylquinoline
SMILESCc1ccc2nc(S(C)(=O)=O)ccc2c1
InChIInChI=1S/C11H11NO2S/c1-8-3-5-10-9(7-8)4-6-11(12-10)15(2,13)14/h3-7H,1-2H3
InChIKeyZYNRGBGBRVAJHP-UHFFFAOYSA-N
XLogP1.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfonylquinoline?
The IUPAC name of 6-methyl-2-methylsulfonylquinoline (CID 138563727) is 6-methyl-2-methylsulfonylquinoline.
What is the SMILES notation for 6-methyl-2-methylsulfonylquinoline?
The canonical SMILES for 6-methyl-2-methylsulfonylquinoline is Cc1ccc2nc(S(C)(=O)=O)ccc2c1.
What is the InChIKey of 6-methyl-2-methylsulfonylquinoline?
The InChIKey is ZYNRGBGBRVAJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-3-5-10-9(7-8)4-6-11(12-10)15(2,13)14/h3-7H,1-2H3.
What are the key properties of 6-methyl-2-methylsulfonylquinoline?
6-methyl-2-methylsulfonylquinoline has a molecular weight of 221.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfonylquinoline is sourced from PubChem (CID 138563727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).