N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C11H15NO5S2 — CID 3581468

IUPACN-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc2c(s1)CS(=O)(=O)C2)OC
InChIInChI=1S/C11H15NO5S2/c1-16-10(17-2)4-12-11(13)8-3-7-5-19(14,15)6-9(7)18-8/h3,10H,4-6H2,1-2H3,(H,12,13)
InChIKeyPSZNZANFDAKSKB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.53
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3581468) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3581468
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC NameN-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc2c(s1)CS(=O)(=O)C2)OC
InChIInChI=1S/C11H15NO5S2/c1-16-10(17-2)4-12-11(13)8-3-7-5-19(14,15)6-9(7)18-8/h3,10H,4-6H2,1-2H3,(H,12,13)
InChIKeyPSZNZANFDAKSKB-UHFFFAOYSA-N
XLogP0.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3581468) is N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is COC(CNC(=O)c1cc2c(s1)CS(=O)(=O)C2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is PSZNZANFDAKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-16-10(17-2)4-12-11(13)8-3-7-5-19(14,15)6-9(7)18-8/h3,10H,4-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3581468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).