2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid

C12H16N2O6S — CID 62093627

IUPAC2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC2CCCNC2=O)c1C(=O)O
InChIInChI=1S/C12H16N2O6S/c1-6-9(12(16)17)10(7(2)20-6)21(18,19)14-8-4-3-5-13-11(8)15/h8,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRIDCBWBFIJUPIM-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.15
Rot. Bonds4

About 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 62093627) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid
PubChem CID62093627
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC2CCCNC2=O)c1C(=O)O
InChIInChI=1S/C12H16N2O6S/c1-6-9(12(16)17)10(7(2)20-6)21(18,19)14-8-4-3-5-13-11(8)15/h8,14H,3-5H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyRIDCBWBFIJUPIM-UHFFFAOYSA-N
XLogP0.15
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid (CID 62093627) is 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NC2CCCNC2=O)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is RIDCBWBFIJUPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-6-9(12(16)17)10(7(2)20-6)21(18,19)14-8-4-3-5-13-11(8)15/h8,14H,3-5H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(2-oxopiperidin-3-yl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 62093627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).