2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan

C8H11N3O3S — CID 112684205

IUPAC2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
SMILESN#CCCN(Cc1ccco1)S(N)(=O)=O
InChIInChI=1S/C8H11N3O3S/c9-4-2-5-11(15(10,12)13)7-8-3-1-6-14-8/h1,3,6H,2,5,7H2,(H2,10,12,13)
InChIKeyKFWBRHMJIYPXPP-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.20
Rot. Bonds5

About 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan

2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan (PubChem CID 112684205) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan.

Molecular Properties

Compound Name2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
PubChem CID112684205
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
SMILESN#CCCN(Cc1ccco1)S(N)(=O)=O
InChIInChI=1S/C8H11N3O3S/c9-4-2-5-11(15(10,12)13)7-8-3-1-6-14-8/h1,3,6H,2,5,7H2,(H2,10,12,13)
InChIKeyKFWBRHMJIYPXPP-UHFFFAOYSA-N
XLogP0.20
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61141132
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
CID 61458170
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60594886
2,4-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60540684
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
CID 66236653
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823217
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan?
The IUPAC name of 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan (CID 112684205) is 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan.
What is the SMILES notation for 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan?
The canonical SMILES for 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan is N#CCCN(Cc1ccco1)S(N)(=O)=O.
What is the InChIKey of 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan?
The InChIKey is KFWBRHMJIYPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-4-2-5-11(15(10,12)13)7-8-3-1-6-14-8/h1,3,6H,2,5,7H2,(H2,10,12,13).
What are the key properties of 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan?
2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan has a molecular weight of 229.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan is sourced from PubChem (CID 112684205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).