4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine

C8H11NS — CID 89427517

IUPAC4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine
SMILESC1=CC2NC=CCC2SC1
InChIInChI=1S/C8H11NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1-3,5,7-9H,4,6H2
InChIKeyHWRSFNXZZNURLS-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.53
Rot. Bonds

About 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine

4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine (PubChem CID 89427517) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine.

Molecular Properties

Compound Name4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine
PubChem CID89427517
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine
SMILESC1=CC2NC=CCC2SC1
InChIInChI=1S/C8H11NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1-3,5,7-9H,4,6H2
InChIKeyHWRSFNXZZNURLS-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The IUPAC name of 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine (CID 89427517) is 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine.
What is the SMILES notation for 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The canonical SMILES for 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine is C1=CC2NC=CCC2SC1.
What is the InChIKey of 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The InChIKey is HWRSFNXZZNURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1-3,5,7-9H,4,6H2.
What are the key properties of 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine has a molecular weight of 153.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine is sourced from PubChem (CID 89427517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).