5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine

C11H15NS — CID 14004039

IUPAC5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine
SMILESc1cc2c(s1)C1CCCCN1CC2
InChIInChI=1S/C11H15NS/c1-2-6-12-7-4-9-5-8-13-11(9)10(12)3-1/h5,8,10H,1-4,6-7H2
InChIKeyJDQPKNAZHYFPQE-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.83
Rot. Bonds

About 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine

5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine (PubChem CID 14004039) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine.

Molecular Properties

Compound Name5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine
PubChem CID14004039
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine
SMILESc1cc2c(s1)C1CCCCN1CC2
InChIInChI=1S/C11H15NS/c1-2-6-12-7-4-9-5-8-13-11(9)10(12)3-1/h5,8,10H,1-4,6-7H2
InChIKeyJDQPKNAZHYFPQE-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine?
The IUPAC name of 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine (CID 14004039) is 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine.
What is the SMILES notation for 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine?
The canonical SMILES for 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine is c1cc2c(s1)C1CCCCN1CC2.
What is the InChIKey of 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine?
The InChIKey is JDQPKNAZHYFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-6-12-7-4-9-5-8-13-11(9)10(12)3-1/h5,8,10H,1-4,6-7H2.
What are the key properties of 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine?
5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine has a molecular weight of 193.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine is sourced from PubChem (CID 14004039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).