ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

C10H13NO4S2 — CID 2998518

IUPACethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
SMILESCCOC(=O)c1c(N)sc2c1CCS(=O)(=O)C2
InChIInChI=1S/C10H13NO4S2/c1-2-15-10(12)8-6-3-4-17(13,14)5-7(6)16-9(8)11/h2-5,11H2,1H3
InChIKeyQXEOGEHYHZTZCA-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds2

About ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate (PubChem CID 2998518) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
PubChem CID2998518
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Nameethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
SMILESCCOC(=O)c1c(N)sc2c1CCS(=O)(=O)C2
InChIInChI=1S/C10H13NO4S2/c1-2-15-10(12)8-6-3-4-17(13,14)5-7(6)16-9(8)11/h2-5,11H2,1H3
InChIKeyQXEOGEHYHZTZCA-UHFFFAOYSA-N
XLogP0.98
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
The IUPAC name of ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate (CID 2998518) is ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate is CCOC(=O)c1c(N)sc2c1CCS(=O)(=O)C2.
What is the InChIKey of ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
The InChIKey is QXEOGEHYHZTZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-2-15-10(12)8-6-3-4-17(13,14)5-7(6)16-9(8)11/h2-5,11H2,1H3.
What are the key properties of ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate?
ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate is sourced from PubChem (CID 2998518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).