8-ethyl-3-methyl-4-methylsulfonylquinoline

C13H15NO2S — CID 129268418

IUPAC8-ethyl-3-methyl-4-methylsulfonylquinoline
SMILESCCc1cccc2c(S(C)(=O)=O)c(C)cnc12
InChIInChI=1S/C13H15NO2S/c1-4-10-6-5-7-11-12(10)14-8-9(2)13(11)17(3,15)16/h5-8H,4H2,1-3H3
InChIKeyBMOKAJKYJOHZKN-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.51
Rot. Bonds2

About 8-ethyl-3-methyl-4-methylsulfonylquinoline

8-ethyl-3-methyl-4-methylsulfonylquinoline (PubChem CID 129268418) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 8-ethyl-3-methyl-4-methylsulfonylquinoline.

Molecular Properties

Compound Name8-ethyl-3-methyl-4-methylsulfonylquinoline
PubChem CID129268418
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name8-ethyl-3-methyl-4-methylsulfonylquinoline
SMILESCCc1cccc2c(S(C)(=O)=O)c(C)cnc12
InChIInChI=1S/C13H15NO2S/c1-4-10-6-5-7-11-12(10)14-8-9(2)13(11)17(3,15)16/h5-8H,4H2,1-3H3
InChIKeyBMOKAJKYJOHZKN-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 ≤ 500249.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-4-methylsulfonylquinoline?
The IUPAC name of 8-ethyl-3-methyl-4-methylsulfonylquinoline (CID 129268418) is 8-ethyl-3-methyl-4-methylsulfonylquinoline.
What is the SMILES notation for 8-ethyl-3-methyl-4-methylsulfonylquinoline?
The canonical SMILES for 8-ethyl-3-methyl-4-methylsulfonylquinoline is CCc1cccc2c(S(C)(=O)=O)c(C)cnc12.
What is the InChIKey of 8-ethyl-3-methyl-4-methylsulfonylquinoline?
The InChIKey is BMOKAJKYJOHZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-4-10-6-5-7-11-12(10)14-8-9(2)13(11)17(3,15)16/h5-8H,4H2,1-3H3.
What are the key properties of 8-ethyl-3-methyl-4-methylsulfonylquinoline?
8-ethyl-3-methyl-4-methylsulfonylquinoline has a molecular weight of 249.33 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 8-ethyl-3-methyl-4-methylsulfonylquinoline is sourced from PubChem (CID 129268418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).