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

C8H11NS — CID 141468709

IUPAC3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine
SMILESC1=NCC2CCCSC2=C1
InChIInChI=1S/C8H11NS/c1-2-7-6-9-4-3-8(7)10-5-1/h3-4,7H,1-2,5-6H2
InChIKeyZCIMCAVOEDNSCH-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.10
Rot. Bonds

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

3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine (PubChem CID 141468709) 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-c]pyridine.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine
PubChem CID141468709
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine
SMILESC1=NCC2CCCSC2=C1
InChIInChI=1S/C8H11NS/c1-2-7-6-9-4-3-8(7)10-5-1/h3-4,7H,1-2,5-6H2
InChIKeyZCIMCAVOEDNSCH-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3a,4,5-tetrahydro-2H-thieno[2,3-d]azepine
CID 69958429
4a,5-dihydro-1H-thiopyrano[4,3-c]pyridine
CID 91404380
3,4,4a,5-tetrahydro-1H-thiopyrano[4,3-c]pyridine
CID 175870851
2-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine
CID 67100455

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine (CID 141468709) is 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine is C1=NCC2CCCSC2=C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine?
The InChIKey is ZCIMCAVOEDNSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-7-6-9-4-3-8(7)10-5-1/h3-4,7H,1-2,5-6H2.
What are the key properties of 3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine?
3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-c]pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 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-c]pyridine is sourced from PubChem (CID 141468709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).