5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid

C10H11NO5S2 — CID 136551494

IUPAC5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)C2CCCS2(=O)=O)c1
InChIInChI=1S/C10H11NO5S2/c12-9(7-2-1-3-18(7,15)16)11-8-4-6(5-17-8)10(13)14/h4-5,7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyZLFOSDUZQYHHSB-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.96
Rot. Bonds3

About 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid

5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 136551494) has the molecular formula C10H11NO5S2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID136551494
Molecular FormulaC10H11NO5S2
Molecular Weight289.33 g/mol
Exact Mass289.01
IUPAC Name5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)C2CCCS2(=O)=O)c1
InChIInChI=1S/C10H11NO5S2/c12-9(7-2-1-3-18(7,15)16)11-8-4-6(5-17-8)10(13)14/h4-5,7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyZLFOSDUZQYHHSB-UHFFFAOYSA-N
XLogP0.96
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1,1-dioxothiane-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 113421829
3-bromo-4-[(1,1-dioxothiane-2-carbonyl)amino]benzoic acid
CID 104517641
N-(2-cyanophenyl)-1,1-dioxothiane-2-carboxamide
CID 104519233
4-[2-[(1,1-dioxothiane-2-carbonyl)amino]ethyl]benzoic acid
CID 120512996
N-(4-bromo-2,6-difluorophenyl)-1,1-dioxothiane-2-carboxamide
CID 104519521
N-(4-aminophenyl)-1,1-dioxothiane-2-carboxamide
CID 113421791
N-(4-bromophenyl)-1,1-dioxothiane-2-carboxamide
CID 113422098
2-[(1,1-dioxothiane-2-carbonyl)amino]-6-fluorobenzoic acid
CID 104517456
N-(4-carbamothioylphenyl)-1,1-dioxothiane-2-carboxamide
CID 104519316
N-(4-hydroxy-2-methylphenyl)-1,1-dioxothiane-2-carboxamide
CID 104520074
N-(3-hydroxy-4-methylphenyl)-1,1-dioxothiane-2-carboxamide
CID 104520078
N-(4-fluoro-2-iodophenyl)-1,1-dioxothiane-2-carboxamide
CID 104519526

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 136551494) is 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid is O=C(O)c1csc(NC(=O)C2CCCS2(=O)=O)c1.
What is the InChIKey of 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is ZLFOSDUZQYHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S2/c12-9(7-2-1-3-18(7,15)16)11-8-4-6(5-17-8)10(13)14/h4-5,7H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid?
5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolane-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 136551494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).