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

C8H11NS — CID 159691256

IUPAC3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine
SMILESC1=CNC2CCCSC2=C1
InChIInChI=1S/C8H11NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1,4-5,7,9H,2-3,6H2
InChIKeyMWLDSCWEZPSTFG-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.88
Rot. Bonds

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

3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine (PubChem CID 159691256) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine
PubChem CID159691256
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine
SMILESC1=CNC2CCCSC2=C1
InChIInChI=1S/C8H11NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1,4-5,7,9H,2-3,6H2
InChIKeyMWLDSCWEZPSTFG-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 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine (CID 159691256) is 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine is C1=CNC2CCCSC2=C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
The InChIKey is MWLDSCWEZPSTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-8-7(9-5-1)3-2-6-10-8/h1,4-5,7,9H,2-3,6H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine?
3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-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 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine is sourced from PubChem (CID 159691256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).