3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline

C11H13NS — CID 19960942

IUPAC3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline
SMILESC1=CC2=NCCC3CCSC23C=C1
InChIInChI=1S/C11H13NS/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1/h1-3,6,9H,4-5,7-8H2
InChIKeyZWMDFNZWHGSPFI-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.45
Rot. Bonds

About 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline

3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline (PubChem CID 19960942) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline.

Molecular Properties

Compound Name3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline
PubChem CID19960942
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline
SMILESC1=CC2=NCCC3CCSC23C=C1
InChIInChI=1S/C11H13NS/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1/h1-3,6,9H,4-5,7-8H2
InChIKeyZWMDFNZWHGSPFI-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline?
The IUPAC name of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline (CID 19960942) is 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline.
What is the SMILES notation for 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline?
The canonical SMILES for 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline is C1=CC2=NCCC3CCSC23C=C1.
What is the InChIKey of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline?
The InChIKey is ZWMDFNZWHGSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-6-11-9(5-8-13-11)4-7-12-10(11)3-1/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline?
3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline has a molecular weight of 191.30 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline is sourced from PubChem (CID 19960942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).