2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid

C11H14N2O5S — CID 61458170

IUPAC2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C11H14N2O5S/c1-9(11(14)15)19(16,17)13(6-3-5-12)8-10-4-2-7-18-10/h2,4,7,9H,3,6,8H2,1H3,(H,14,15)
InChIKeyJKPBPSWKPJFUIP-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.80
Rot. Bonds7

About 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid

2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid (PubChem CID 61458170) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
PubChem CID61458170
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C11H14N2O5S/c1-9(11(14)15)19(16,17)13(6-3-5-12)8-10-4-2-7-18-10/h2,4,7,9H,3,6,8H2,1H3,(H,14,15)
InChIKeyJKPBPSWKPJFUIP-UHFFFAOYSA-N
XLogP0.80
TPSA111.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
CID 112684205
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61141132
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 86910979
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60594886
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2,4-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60540684

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid (CID 61458170) is 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid?
The InChIKey is JKPBPSWKPJFUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-9(11(14)15)19(16,17)13(6-3-5-12)8-10-4-2-7-18-10/h2,4,7,9H,3,6,8H2,1H3,(H,14,15).
What are the key properties of 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid?
2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid has a molecular weight of 286.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61458170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).