methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate

C15H13NO5S — CID 90565388

About methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate

methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (PubChem CID 90565388) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
• PubChem CID: 90565388
• Molecular Formula: C15H13NO5S
• Molecular Weight: 319.34 g/mol
• Exact Mass: 319.05
• IUPAC Name: methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
• SMILES: COC(=O)C1c2ccsc2CCN1C(=O)c1ccc(=O)oc1
• InChI: InChI=1S/C15H13NO5S/c1-20-15(19)13-10-5-7-22-11(10)4-6-16(13)14(18)9-2-3-12(17)21-8-9/h2-3,5,7-8,13H,4,6H2,1H3
• InChIKey: IXHBGPZADNHEPG-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 76.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.34
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?

The IUPAC name of methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (CID 90565388) is methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.

What is the SMILES notation for methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?

The canonical SMILES for methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is COC(=O)C1c2ccsc2CCN1C(=O)c1ccc(=O)oc1.

What is the InChIKey of methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?

The InChIKey is IXHBGPZADNHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5S/c1-20-15(19)13-10-5-7-22-11(10)4-6-16(13)14(18)9-2-3-12(17)21-8-9/h2-3,5,7-8,13H,4,6H2,1H3.

What are the key properties of methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?

methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 90565388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).