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

C8H9NS — CID 67942841

IUPAC4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine
SMILESC1=CC2SC=CCC2N=C1
InChIInChI=1S/C8H9NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1-2,4-8H,3H2
InChIKeyHDIYMMOMKSVCMT-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.01
Rot. Bonds

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

4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine (PubChem CID 67942841) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine.

Molecular Properties

Compound Name4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine
PubChem CID67942841
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine
SMILESC1=CC2SC=CCC2N=C1
InChIInChI=1S/C8H9NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1-2,4-8H,3H2
InChIKeyHDIYMMOMKSVCMT-UHFFFAOYSA-N
XLogP2.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine?
The IUPAC name of 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine (CID 67942841) is 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine.
What is the SMILES notation for 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine?
The canonical SMILES for 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine is C1=CC2SC=CCC2N=C1.
What is the InChIKey of 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine?
The InChIKey is HDIYMMOMKSVCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1-2,4-8H,3H2.
What are the key properties of 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine?
4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine has a molecular weight of 151.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydro-4H-thiopyrano[3,2-b]pyridine is sourced from PubChem (CID 67942841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).