1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone

C8H9NO4S — CID 82393876

IUPAC1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone
SMILESCC(=O)c1oc(N)c2c1CS(=O)(=O)C2
InChIInChI=1S/C8H9NO4S/c1-4(10)7-5-2-14(11,12)3-6(5)8(9)13-7/h2-3,9H2,1H3
InChIKeyKEZVNSSVXYIGRG-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.49
Rot. Bonds1

About 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone

1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone (PubChem CID 82393876) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone
PubChem CID82393876
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone
SMILESCC(=O)c1oc(N)c2c1CS(=O)(=O)C2
InChIInChI=1S/C8H9NO4S/c1-4(10)7-5-2-14(11,12)3-6(5)8(9)13-7/h2-3,9H2,1H3
InChIKeyKEZVNSSVXYIGRG-UHFFFAOYSA-N
XLogP0.49
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone?
The IUPAC name of 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone (CID 82393876) is 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone is CC(=O)c1oc(N)c2c1CS(=O)(=O)C2.
What is the InChIKey of 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone?
The InChIKey is KEZVNSSVXYIGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-4(10)7-5-2-14(11,12)3-6(5)8(9)13-7/h2-3,9H2,1H3.
What are the key properties of 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone?
1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone has a molecular weight of 215.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5,5-dioxo-4,6-dihydrothieno[3,4-c]furan-1-yl)ethanone is sourced from PubChem (CID 82393876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).