5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide

C8H9NO3S2 — CID 19759896

IUPAC5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide
SMILESCC1(C(N)=O)Cc2ccsc2S1(=O)=O
InChIInChI=1S/C8H9NO3S2/c1-8(7(9)10)4-5-2-3-13-6(5)14(8,11)12/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyALVRANLMHRIDQT-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.32
Rot. Bonds1

About 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide

5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide (PubChem CID 19759896) has the molecular formula C8H9NO3S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide.

Molecular Properties

Compound Name5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide
PubChem CID19759896
Molecular FormulaC8H9NO3S2
Molecular Weight231.30 g/mol
Exact Mass231.00
IUPAC Name5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide
SMILESCC1(C(N)=O)Cc2ccsc2S1(=O)=O
InChIInChI=1S/C8H9NO3S2/c1-8(7(9)10)4-5-2-3-13-6(5)14(8,11)12/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyALVRANLMHRIDQT-UHFFFAOYSA-N
XLogP0.32
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide?
The IUPAC name of 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide (CID 19759896) is 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide.
What is the SMILES notation for 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide?
The canonical SMILES for 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide is CC1(C(N)=O)Cc2ccsc2S1(=O)=O.
What is the InChIKey of 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide?
The InChIKey is ALVRANLMHRIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S2/c1-8(7(9)10)4-5-2-3-13-6(5)14(8,11)12/h2-3H,4H2,1H3,(H2,9,10).
What are the key properties of 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide?
5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-5-carboxamide is sourced from PubChem (CID 19759896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).