2-(thiolan-2-yl)quinoline

C13H13NS — CID 13043972

IUPAC2-(thiolan-2-yl)quinoline
SMILESc1ccc2nc(C3CCCS3)ccc2c1
InChIInChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-2,4-5,7-8,13H,3,6,9H2
InChIKeySUVWAWWLOGXICM-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.80
Rot. Bonds1

About 2-(thiolan-2-yl)quinoline

2-(thiolan-2-yl)quinoline (PubChem CID 13043972) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(thiolan-2-yl)quinoline.

Molecular Properties

Compound Name2-(thiolan-2-yl)quinoline
PubChem CID13043972
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name2-(thiolan-2-yl)quinoline
SMILESc1ccc2nc(C3CCCS3)ccc2c1
InChIInChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-2,4-5,7-8,13H,3,6,9H2
InChIKeySUVWAWWLOGXICM-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)quinoline?
The IUPAC name of 2-(thiolan-2-yl)quinoline (CID 13043972) is 2-(thiolan-2-yl)quinoline.
What is the SMILES notation for 2-(thiolan-2-yl)quinoline?
The canonical SMILES for 2-(thiolan-2-yl)quinoline is c1ccc2nc(C3CCCS3)ccc2c1.
What is the InChIKey of 2-(thiolan-2-yl)quinoline?
The InChIKey is SUVWAWWLOGXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-2-5-11-10(4-1)7-8-12(14-11)13-6-3-9-15-13/h1-2,4-5,7-8,13H,3,6,9H2.
What are the key properties of 2-(thiolan-2-yl)quinoline?
2-(thiolan-2-yl)quinoline has a molecular weight of 215.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)quinoline is sourced from PubChem (CID 13043972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).