5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid

C11H13NO5S2 — CID 81039815

IUPAC5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2CCCS2(=O)=O)s1
InChIInChI=1S/C11H13NO5S2/c13-10(8-3-4-9(18-8)11(14)15)12-6-7-2-1-5-19(7,16)17/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)
InChIKeyFDHUEUNJCWZKAZ-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.75
Rot. Bonds4

About 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid

5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 81039815) has the molecular formula C11H13NO5S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID81039815
Molecular FormulaC11H13NO5S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC Name5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCC2CCCS2(=O)=O)s1
InChIInChI=1S/C11H13NO5S2/c13-10(8-3-4-9(18-8)11(14)15)12-6-7-2-1-5-19(7,16)17/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)
InChIKeyFDHUEUNJCWZKAZ-UHFFFAOYSA-N
XLogP0.75
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]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-(Diethylcarbamoyl)thiophene-2-carboxylic acid
CID 43414408
5-[(Trifluoroacetamido)methyl]thiophene-2-carboxylic acid
CID 21975911
5-[(2,2,3,3,3-Pentafluoropropanoylamino)methyl]thiophene-2-carboxylic acid
CID 21975923
2-Amino-6-[(4-fluorosulfonylthiophene-2-carbonyl)amino]hexanoic acid
CID 171554036
5-[[(4R)-oxepan-4-yl]carbamoyl]thiophene-2-carboxylic acid
CID 129465587
5-[[(3S)-1-methylsulfonylpiperidin-3-yl]carbamoyl]thiophene-2-carboxylic acid
CID 129467500
5-((3-(Hydroxymercuri)-2-methoxypropyl)carbamoyl)-2-thiophenecarboxylic acid
CID 3032012
5-(2,2,2-Trifluoroethylcarbamoyl)thiophene-2-carboxylic acid
CID 43414494
5-(3,3,3-Trifluoropropylcarbamoyl)thiophene-2-carboxylic acid
CID 63227467
5-[2-(Trifluoromethylsulfanyl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 103621096
5-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 106430072
5-(5,5,5-Trifluoropentylcarbamoyl)thiophene-2-carboxylic acid
CID 113328026

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid (CID 81039815) is 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCC2CCCS2(=O)=O)s1.
What is the InChIKey of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is FDHUEUNJCWZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S2/c13-10(8-3-4-9(18-8)11(14)15)12-6-7-2-1-5-19(7,16)17/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid?
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 81039815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).