3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine

C8H13NS — CID 69235985

IUPAC3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine
SMILESC1=C2SCCCC2NCC1
InChIInChI=1S/C8H13NS/c1-4-8-7(9-5-1)3-2-6-10-8/h4,7,9H,1-3,5-6H2
InChIKeyRRKHVPOUYVDGEV-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.76
Rot. Bonds

About 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine

3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine (PubChem CID 69235985) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine.

Molecular Properties

Compound Name3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine
PubChem CID69235985
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine
SMILESC1=C2SCCCC2NCC1
InChIInChI=1S/C8H13NS/c1-4-8-7(9-5-1)3-2-6-10-8/h4,7,9H,1-3,5-6H2
InChIKeyRRKHVPOUYVDGEV-UHFFFAOYSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine with MolForge

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Related Compounds

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3,3a,4,5,6,7-hexahydro-2H-thieno[3,2-b]azepine
CID 68469906
4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine
CID 89427517
5a,9a,10,10a-tetrahydro-1H-phenothiazine
CID 122447896
3,4,4a,8a-tetrahydro-2H-1,4-benzothiazine
CID 139448436
10-Thia-2-azatricyclo[7.4.0.03,7]trideca-4,6,8-triene
CID 139910118
CID 141782607
CID 141782607
2,4,6-triethyl-3,4-dihydro-2H-1,3-thiazine
CID 149700863
2,3-bis(ethenyl)-4a,8a-dihydro-4H-1,4-benzothiazine
CID 154624208
3,4,4a,5-tetrahydro-2H-thiopyrano[3,2-b]pyridine
CID 159691256
2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine
CID 163888073

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine?
The IUPAC name of 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine (CID 69235985) is 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine.
What is the SMILES notation for 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine?
The canonical SMILES for 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine is C1=C2SCCCC2NCC1.
What is the InChIKey of 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine?
The InChIKey is RRKHVPOUYVDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-8-7(9-5-1)3-2-6-10-8/h4,7,9H,1-3,5-6H2.
What are the key properties of 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine?
3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine has a molecular weight of 155.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine is sourced from PubChem (CID 69235985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).