1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline

C11H15NS — CID 66941998

IUPAC1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline
SMILESC1=CC2=C3CCSC3CNC2CC1
InChIInChI=1S/C11H15NS/c1-2-4-10-8(3-1)9-5-6-13-11(9)7-12-10/h1,3,10-12H,2,4-7H2
InChIKeyFMHARUAPMRFJOD-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.11
Rot. Bonds

About 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline

1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline (PubChem CID 66941998) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline.

Molecular Properties

Compound Name1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline
PubChem CID66941998
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline
SMILESC1=CC2=C3CCSC3CNC2CC1
InChIInChI=1S/C11H15NS/c1-2-4-10-8(3-1)9-5-6-13-11(9)7-12-10/h1,3,10-12H,2,4-7H2
InChIKeyFMHARUAPMRFJOD-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline?
The IUPAC name of 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline (CID 66941998) is 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline.
What is the SMILES notation for 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline?
The canonical SMILES for 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline is C1=CC2=C3CCSC3CNC2CC1.
What is the InChIKey of 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline?
The InChIKey is FMHARUAPMRFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-10-8(3-1)9-5-6-13-11(9)7-12-10/h1,3,10-12H,2,4-7H2.
What are the key properties of 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline?
1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline has a molecular weight of 193.31 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a,4,5,5a,6,7-octahydrothieno[2,3-c]quinoline is sourced from PubChem (CID 66941998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).