(3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline

C11H15NS — CID 66941997

IUPAC(3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline
SMILESC1=C[C@@H]2C3CCCC=C3NC[C@@H]2S1
InChIInChI=1S/C11H15NS/c1-2-4-10-8(3-1)9-5-6-13-11(9)7-12-10/h4-6,8-9,11-12H,1-3,7H2/t8?,9-,11+/m1/s1
InChIKeyBWHXHIFYZVJPCL-SNZBGZMYSA-N
MW193.31 g/mol
LogP2.52
Rot. Bonds

About (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline

(3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline (PubChem CID 66941997) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline.

Molecular Properties

Compound Name(3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline
PubChem CID66941997
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline
SMILESC1=C[C@@H]2C3CCCC=C3NC[C@@H]2S1
InChIInChI=1S/C11H15NS/c1-2-4-10-8(3-1)9-5-6-13-11(9)7-12-10/h4-6,8-9,11-12H,1-3,7H2/t8?,9-,11+/m1/s1
InChIKeyBWHXHIFYZVJPCL-SNZBGZMYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline?
The IUPAC name of (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline (CID 66941997) is (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline.
What is the SMILES notation for (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline?
The canonical SMILES for (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline is C1=C[C@@H]2C3CCCC=C3NC[C@@H]2S1.
What is the InChIKey of (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline?
The InChIKey is BWHXHIFYZVJPCL-SNZBGZMYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-4-10-8(3-1)9-5-6-13-11(9)7-12-10/h4-6,8-9,11-12H,1-3,7H2/t8?,9-,11+/m1/s1.
What are the key properties of (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline?
(3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline has a molecular weight of 193.31 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-3a,4,5,7,8,9,9a,9b-octahydrothieno[2,3-c]quinoline is sourced from PubChem (CID 66941997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).