8-prop-2-enylsulfonylquinoline

C12H11NO2S — CID 581982

IUPAC8-prop-2-enylsulfonylquinoline
SMILESC=CCS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C12H11NO2S/c1-2-9-16(14,15)11-7-3-5-10-6-4-8-13-12(10)11/h2-8H,1,9H2
InChIKeyICDCKRMKQIUBNL-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.19
Rot. Bonds3

About 8-prop-2-enylsulfonylquinoline

8-prop-2-enylsulfonylquinoline (PubChem CID 581982) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 8-prop-2-enylsulfonylquinoline.

Molecular Properties

Compound Name8-prop-2-enylsulfonylquinoline
PubChem CID581982
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name8-prop-2-enylsulfonylquinoline
SMILESC=CCS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C12H11NO2S/c1-2-9-16(14,15)11-7-3-5-10-6-4-8-13-12(10)11/h2-8H,1,9H2
InChIKeyICDCKRMKQIUBNL-UHFFFAOYSA-N
XLogP2.19
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enylsulfonylquinoline?
The IUPAC name of 8-prop-2-enylsulfonylquinoline (CID 581982) is 8-prop-2-enylsulfonylquinoline.
What is the SMILES notation for 8-prop-2-enylsulfonylquinoline?
The canonical SMILES for 8-prop-2-enylsulfonylquinoline is C=CCS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 8-prop-2-enylsulfonylquinoline?
The InChIKey is ICDCKRMKQIUBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-9-16(14,15)11-7-3-5-10-6-4-8-13-12(10)11/h2-8H,1,9H2.
What are the key properties of 8-prop-2-enylsulfonylquinoline?
8-prop-2-enylsulfonylquinoline has a molecular weight of 233.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylsulfonylquinoline is sourced from PubChem (CID 581982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).