8-methylsulfonylquinoline

C10H9NO2S — CID 21349811

IUPAC8-methylsulfonylquinoline
SMILESCS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKeyRPUNNHCLJDHINC-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.64
Rot. Bonds1

About 8-methylsulfonylquinoline

8-methylsulfonylquinoline (PubChem CID 21349811) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 8-methylsulfonylquinoline.

Molecular Properties

Compound Name8-methylsulfonylquinoline
PubChem CID21349811
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name8-methylsulfonylquinoline
SMILESCS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKeyRPUNNHCLJDHINC-UHFFFAOYSA-N
XLogP1.64
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonylquinoline?
The IUPAC name of 8-methylsulfonylquinoline (CID 21349811) is 8-methylsulfonylquinoline.
What is the SMILES notation for 8-methylsulfonylquinoline?
The canonical SMILES for 8-methylsulfonylquinoline is CS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 8-methylsulfonylquinoline?
The InChIKey is RPUNNHCLJDHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3.
What are the key properties of 8-methylsulfonylquinoline?
8-methylsulfonylquinoline has a molecular weight of 207.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonylquinoline is sourced from PubChem (CID 21349811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).