3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine

C8H11NS — CID 91131258

IUPAC3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine
SMILESC1=C2CCCSC2=NCC1
InChIInChI=1S/C8H11NS/c1-3-7-4-2-6-10-8(7)9-5-1/h3H,1-2,4-6H2
InChIKeyBHLSDFDSMGCLIF-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.24
Rot. Bonds

About 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine

3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine (PubChem CID 91131258) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine.

Molecular Properties

Compound Name3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine
PubChem CID91131258
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine
SMILESC1=C2CCCSC2=NCC1
InChIInChI=1S/C8H11NS/c1-3-7-4-2-6-10-8(7)9-5-1/h3H,1-2,4-6H2
InChIKeyBHLSDFDSMGCLIF-UHFFFAOYSA-N
XLogP2.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,4a,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine
CID 53914238
1-Prop-2-enylsulfanyl-3,4,6,7-tetrahydroisoquinoline
CID 123451986
2-(Cyclohexen-1-yl)-4,5-dihydro-1,3-thiazole
CID 153802762
2-(Cyclohexen-1-yl)-4,5-dihydro-1,3-thiazole;platinum
CID 160557176
2-Hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 174626693
2-(Cyclopenten-1-yl)-4,5-dihydro-1,3-thiazole
CID 175262952

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
The IUPAC name of 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine (CID 91131258) is 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine.
What is the SMILES notation for 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
The canonical SMILES for 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine is C1=C2CCCSC2=NCC1.
What is the InChIKey of 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
The InChIKey is BHLSDFDSMGCLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-7-4-2-6-10-8(7)9-5-1/h3H,1-2,4-6H2.
What are the key properties of 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine?
3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydro-2H-thiopyrano[2,3-b]pyridine is sourced from PubChem (CID 91131258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).