3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine

C8H11NS — CID 69455725

IUPAC3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine
SMILESC1=CC2=C(NC1)SCCC2
InChIInChI=1S/C8H11NS/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,9H,2,4-6H2
InChIKeyUAURATPWTFQTIT-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.88
Rot. Bonds

About 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine

3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine (PubChem CID 69455725) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine.

Molecular Properties

Compound Name3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine
PubChem CID69455725
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine
SMILESC1=CC2=C(NC1)SCCC2
InChIInChI=1S/C8H11NS/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,9H,2,4-6H2
InChIKeyUAURATPWTFQTIT-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
The IUPAC name of 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine (CID 69455725) is 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine.
What is the SMILES notation for 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
The canonical SMILES for 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine is C1=CC2=C(NC1)SCCC2.
What is the InChIKey of 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
The InChIKey is UAURATPWTFQTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,9H,2,4-6H2.
What are the key properties of 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine has a molecular weight of 153.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetrahydro-2H-thiopyrano[2,3-b]pyridine is sourced from PubChem (CID 69455725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).