2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine

C8H13NS — CID 160741234

IUPAC2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine
SMILESC1=C2NCCCC2CSC1
InChIInChI=1S/C8H13NS/c1-2-7-6-10-5-3-8(7)9-4-1/h3,7,9H,1-2,4-6H2
InChIKeyRVPNREDQBDHHCH-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.62
Rot. Bonds

About 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine

2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine (PubChem CID 160741234) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine.

Molecular Properties

Compound Name2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine
PubChem CID160741234
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine
SMILESC1=C2NCCCC2CSC1
InChIInChI=1S/C8H13NS/c1-2-7-6-10-5-3-8(7)9-4-1/h3,7,9H,1-2,4-6H2
InChIKeyRVPNREDQBDHHCH-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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2,3,4,4a,5a,6-hexahydro-1H-thiochromeno[3,2-b]pyridine
CID 67133605
2,4,4a,5,6,7-hexahydro-1H-3,1-benzothiazine
CID 89286888
2,3,4,7-tetrahydro-1H-thiopyrano[4,3-b]pyridine
CID 89384062
CID 141782607
CID 141782607
3-(3,4-dihydro-2H-thiopyran-6-yl)piperidine
CID 141821076
1-[3-[(3E,5E)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]cyclohexa-2,4-dien-1-yl]-N-(thian-3-ylmethyl)ethenamine
CID 144253764
1,2,4,4a,5,6-Hexahydrocyclopenta[d][1,3]thiazine
CID 148547424
4-(2-Methylpropylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 134121070
CID 141782608
CID 141782608
3-(Cyclohexa-1,5-dien-1-ylsulfanylmethyl)piperidine
CID 166104305

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine?
The IUPAC name of 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine (CID 160741234) is 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine.
What is the SMILES notation for 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine?
The canonical SMILES for 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine is C1=C2NCCCC2CSC1.
What is the InChIKey of 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine?
The InChIKey is RVPNREDQBDHHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-7-6-10-5-3-8(7)9-4-1/h3,7,9H,1-2,4-6H2.
What are the key properties of 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine?
2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine has a molecular weight of 155.27 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,7-hexahydro-1H-thiopyrano[4,3-b]pyridine is sourced from PubChem (CID 160741234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).