6-(2-methylsulfonylpropan-2-yl)quinoline

C13H15NO2S — CID 91258076

IUPAC6-(2-methylsulfonylpropan-2-yl)quinoline
SMILESCC(C)(c1ccc2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-13(2,17(3,15)16)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
InChIKeyDGTORYCVKMIHGK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.51
Rot. Bonds2

About 6-(2-methylsulfonylpropan-2-yl)quinoline

6-(2-methylsulfonylpropan-2-yl)quinoline (PubChem CID 91258076) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(2-methylsulfonylpropan-2-yl)quinoline.

Molecular Properties

Compound Name6-(2-methylsulfonylpropan-2-yl)quinoline
PubChem CID91258076
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name6-(2-methylsulfonylpropan-2-yl)quinoline
SMILESCC(C)(c1ccc2ncccc2c1)S(C)(=O)=O
InChIInChI=1S/C13H15NO2S/c1-13(2,17(3,15)16)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3
InChIKeyDGTORYCVKMIHGK-UHFFFAOYSA-N
XLogP2.51
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
ethane;6-methylsulfonylquinoline
CID 156875641
2-methyl-2-quinolin-6-ylpropanehydrazide
CID 66927115
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
6-methylquinoline
CID 7059
quinolin-6-yl methanesulfonate
CID 157288502
2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one
CID 170553040
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040
2-quinolin-6-ylheptan-2-ol
CID 81215851

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylpropan-2-yl)quinoline?
The IUPAC name of 6-(2-methylsulfonylpropan-2-yl)quinoline (CID 91258076) is 6-(2-methylsulfonylpropan-2-yl)quinoline.
What is the SMILES notation for 6-(2-methylsulfonylpropan-2-yl)quinoline?
The canonical SMILES for 6-(2-methylsulfonylpropan-2-yl)quinoline is CC(C)(c1ccc2ncccc2c1)S(C)(=O)=O.
What is the InChIKey of 6-(2-methylsulfonylpropan-2-yl)quinoline?
The InChIKey is DGTORYCVKMIHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-13(2,17(3,15)16)11-6-7-12-10(9-11)5-4-8-14-12/h4-9H,1-3H3.
What are the key properties of 6-(2-methylsulfonylpropan-2-yl)quinoline?
6-(2-methylsulfonylpropan-2-yl)quinoline has a molecular weight of 249.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylpropan-2-yl)quinoline is sourced from PubChem (CID 91258076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).