2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione

C8H9NO2S — CID 170306815

IUPAC2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione
SMILESO=C1CC2=C(SCCC2)C(=O)N1
InChIInChI=1S/C8H9NO2S/c10-6-4-5-2-1-3-12-7(5)8(11)9-6/h1-4H2,(H,9,10,11)
InChIKeyUNYYTZZSDKIAMT-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.81
Rot. Bonds

About 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione

2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione (PubChem CID 170306815) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione.

Molecular Properties

Compound Name2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione
PubChem CID170306815
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione
SMILESO=C1CC2=C(SCCC2)C(=O)N1
InChIInChI=1S/C8H9NO2S/c10-6-4-5-2-1-3-12-7(5)8(11)9-6/h1-4H2,(H,9,10,11)
InChIKeyUNYYTZZSDKIAMT-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione?
The IUPAC name of 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione (CID 170306815) is 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione.
What is the SMILES notation for 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione?
The canonical SMILES for 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione is O=C1CC2=C(SCCC2)C(=O)N1.
What is the InChIKey of 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione?
The InChIKey is UNYYTZZSDKIAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-6-4-5-2-1-3-12-7(5)8(11)9-6/h1-4H2,(H,9,10,11).
What are the key properties of 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione?
2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione has a molecular weight of 183.23 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydrothiopyrano[2,3-c]pyridine-6,8-dione is sourced from PubChem (CID 170306815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).