5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid

C11H13NO5S2 — CID 60722078

IUPAC5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC1(NC(=O)c2ccc(C(=O)O)s2)CCS(=O)(=O)C1
InChIInChI=1S/C11H13NO5S2/c1-11(4-5-19(16,17)6-11)12-9(13)7-2-3-8(18-7)10(14)15/h2-3H,4-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyUQUJTZOJIVYDQU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.75
Rot. Bonds3

About 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 60722078) has the molecular formula C11H13NO5S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID60722078
Molecular FormulaC11H13NO5S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC Name5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCC1(NC(=O)c2ccc(C(=O)O)s2)CCS(=O)(=O)C1
InChIInChI=1S/C11H13NO5S2/c1-11(4-5-19(16,17)6-11)12-9(13)7-2-3-8(18-7)10(14)15/h2-3H,4-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyUQUJTZOJIVYDQU-UHFFFAOYSA-N
XLogP0.75
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-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-methylcyclopentyl)carbamoyl]thiophene-2-carboxylic acid
CID 64688073
3-[5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76923576
2-N,4-N-bis(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2,4-dicarboxamide
CID 166181280
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 79934442
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
2-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63614767
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid (CID 60722078) is 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid is CC1(NC(=O)c2ccc(C(=O)O)s2)CCS(=O)(=O)C1.
What is the InChIKey of 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is UQUJTZOJIVYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S2/c1-11(4-5-19(16,17)6-11)12-9(13)7-2-3-8(18-7)10(14)15/h2-3H,4-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60722078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).