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

C11H15NO4S2 — CID 3240089

IUPACN-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C11H15NO4S2/c1-16-4-2-3-12-11(13)9-5-8-6-18(14,15)7-10(8)17-9/h5H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyKONNAHRUODKWSZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.94
Rot. Bonds5

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

N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 3240089) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID3240089
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC NameN-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCOCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C11H15NO4S2/c1-16-4-2-3-12-11(13)9-5-8-6-18(14,15)7-10(8)17-9/h5H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyKONNAHRUODKWSZ-UHFFFAOYSA-N
XLogP0.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 3240089) is N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is COCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2.
What is the InChIKey of N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is KONNAHRUODKWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-16-4-2-3-12-11(13)9-5-8-6-18(14,15)7-10(8)17-9/h5H,2-4,6-7H2,1H3,(H,12,13).
What are the key properties of N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5,5-dioxo-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 3240089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).