5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid

C11H14N2O5S — CID 43578645

IUPAC5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)N(CCC#N)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5S/c1-8(2)13(7-3-6-12)19(16,17)10-5-4-9(18-10)11(14)15/h4-5,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyPNGBCJDROJFCLP-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.29
Rot. Bonds6

About 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid

5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43578645) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43578645
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)N(CCC#N)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H14N2O5S/c1-8(2)13(7-3-6-12)19(16,17)10-5-4-9(18-10)11(14)15/h4-5,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyPNGBCJDROJFCLP-UHFFFAOYSA-N
XLogP1.29
TPSA111.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869
5-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 54998544
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
5-[cyanomethyl(prop-2-ynyl)sulfamoyl]furan-2-carboxylic acid
CID 114208706
5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-hydroxybenzoic acid
CID 43578660
5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 60951974
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
N-(2-cyanoethyl)-3,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 54996736
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid (CID 43578645) is 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid is CC(C)N(CCC#N)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is PNGBCJDROJFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-8(2)13(7-3-6-12)19(16,17)10-5-4-9(18-10)11(14)15/h4-5,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid?
5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43578645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).