3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline

C12H15NS — CID 139910111

IUPAC3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline
SMILESC1=CC2=C(CC1)NC1=C(C2)SCCC1
InChIInChI=1S/C12H15NS/c1-2-5-10-9(4-1)8-12-11(13-10)6-3-7-14-12/h1,4,13H,2-3,5-8H2
InChIKeyBLDTVNSVUCNWTK-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.32
Rot. Bonds

About 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline

3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline (PubChem CID 139910111) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline.

Molecular Properties

Compound Name3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline
PubChem CID139910111
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline
SMILESC1=CC2=C(CC1)NC1=C(C2)SCCC1
InChIInChI=1S/C12H15NS/c1-2-5-10-9(4-1)8-12-11(13-10)6-3-7-14-12/h1,4,13H,2-3,5-8H2
InChIKeyBLDTVNSVUCNWTK-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline?
The IUPAC name of 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline (CID 139910111) is 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline.
What is the SMILES notation for 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline?
The canonical SMILES for 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline is C1=CC2=C(CC1)NC1=C(C2)SCCC1.
What is the InChIKey of 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline?
The InChIKey is BLDTVNSVUCNWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-5-10-9(4-1)8-12-11(13-10)6-3-7-14-12/h1,4,13H,2-3,5-8H2.
What are the key properties of 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline?
3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline has a molecular weight of 205.33 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,10-hexahydro-2H-thiopyrano[3,2-b]quinoline is sourced from PubChem (CID 139910111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).