5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline

C12H13NS — CID 57244499

IUPAC5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline
SMILESC1=CC2CC3CSC=CC3=NC2C=C1
InChIInChI=1S/C12H13NS/c1-2-4-11-9(3-1)7-10-8-14-6-5-12(10)13-11/h1-6,9-11H,7-8H2
InChIKeyAWHZSURWRLRVLB-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.82
Rot. Bonds

About 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline

5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline (PubChem CID 57244499) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline.

Molecular Properties

Compound Name5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline
PubChem CID57244499
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline
SMILESC1=CC2CC3CSC=CC3=NC2C=C1
InChIInChI=1S/C12H13NS/c1-2-4-11-9(3-1)7-10-8-14-6-5-12(10)13-11/h1-6,9-11H,7-8H2
InChIKeyAWHZSURWRLRVLB-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline with MolForge

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Launch Full Analysis

Related Compounds

Tetrahydrobenzo[b]thieno[2,3-c]pyridine
CID 19960942
3,3a,4,5-tetrahydro-2H-thieno[3,2-d]quinoline;hydrochloride
CID 67640798
6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline
CID 173426909

Frequently Asked Questions

What is the IUPAC name of 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline?
The IUPAC name of 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline (CID 57244499) is 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline.
What is the SMILES notation for 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline?
The canonical SMILES for 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline is C1=CC2CC3CSC=CC3=NC2C=C1.
What is the InChIKey of 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline?
The InChIKey is AWHZSURWRLRVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-4-11-9(3-1)7-10-8-14-6-5-12(10)13-11/h1-6,9-11H,7-8H2.
What are the key properties of 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline?
5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline has a molecular weight of 203.31 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline is sourced from PubChem (CID 57244499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).