5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid

C11H13NO6S — CID 104607768

IUPAC5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCC2CCCS2(=O)=O)c1
InChIInChI=1S/C11H13NO6S/c13-10(9-4-7(6-18-9)11(14)15)12-5-8-2-1-3-19(8,16)17/h4,6,8H,1-3,5H2,(H,12,13)(H,14,15)
InChIKeyYSBWUCRKWQRDON-UHFFFAOYSA-N
MW287.29 g/mol
LogP0.28
Rot. Bonds4

About 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid

5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607768) has the molecular formula C11H13NO6S and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607768
Molecular FormulaC11H13NO6S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCC2CCCS2(=O)=O)c1
InChIInChI=1S/C11H13NO6S/c13-10(9-4-7(6-18-9)11(14)15)12-5-8-2-1-3-19(8,16)17/h4,6,8H,1-3,5H2,(H,12,13)(H,14,15)
InChIKeyYSBWUCRKWQRDON-UHFFFAOYSA-N
XLogP0.28
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-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-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 81042497
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 81039815
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-4-carboxamide
CID 81039827
3-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81039516
4-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81038480
3-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxybenzamide
CID 81040556
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
3-bromo-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 103827085
4-[[(1,1-dioxothian-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122009613
N-[(1,1-dioxothiolan-2-yl)methyl]-2,5-dihydroxybenzamide
CID 107723405
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81040301

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid (CID 104607768) is 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCC2CCCS2(=O)=O)c1.
What is the InChIKey of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is YSBWUCRKWQRDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6S/c13-10(9-4-7(6-18-9)11(14)15)12-5-8-2-1-3-19(8,16)17/h4,6,8H,1-3,5H2,(H,12,13)(H,14,15).
What are the key properties of 5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid?
5-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 0.28, 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]furan-3-carboxylic acid is sourced from PubChem (CID 104607768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).