5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione

C8H9NO2S — CID 22085287

IUPAC5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
SMILESCN1C(=O)C=C2SCCC2C1=O
InChIInChI=1S/C8H9NO2S/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3
InChIKeySPZVSIUTFMOVBE-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.62
Rot. Bonds

About 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione (PubChem CID 22085287) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione.

Molecular Properties

Compound Name5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
PubChem CID22085287
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione
SMILESCN1C(=O)C=C2SCCC2C1=O
InChIInChI=1S/C8H9NO2S/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3
InChIKeySPZVSIUTFMOVBE-UHFFFAOYSA-N
XLogP0.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
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 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The IUPAC name of 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione (CID 22085287) is 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione.
What is the SMILES notation for 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The canonical SMILES for 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione is CN1C(=O)C=C2SCCC2C1=O.
What is the InChIKey of 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
The InChIKey is SPZVSIUTFMOVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-9-7(10)4-6-5(8(9)11)2-3-12-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione?
5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione has a molecular weight of 183.23 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dione is sourced from PubChem (CID 22085287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).