ethyl 2-[propyl(sulfamoyl)amino]acetate

C7H16N2O4S — CID 59773965

IUPACethyl 2-[propyl(sulfamoyl)amino]acetate
SMILESCCCN(CC(=O)OCC)S(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-3-5-9(14(8,11)12)6-7(10)13-4-2/h3-6H2,1-2H3,(H2,8,11,12)
InChIKeyXOAGFUVDZPXPMJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.54
Rot. Bonds6

About ethyl 2-[propyl(sulfamoyl)amino]acetate

ethyl 2-[propyl(sulfamoyl)amino]acetate (PubChem CID 59773965) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-[propyl(sulfamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(sulfamoyl)amino]acetate
PubChem CID59773965
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Nameethyl 2-[propyl(sulfamoyl)amino]acetate
SMILESCCCN(CC(=O)OCC)S(N)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-3-5-9(14(8,11)12)6-7(10)13-4-2/h3-6H2,1-2H3,(H2,8,11,12)
InChIKeyXOAGFUVDZPXPMJ-UHFFFAOYSA-N
XLogP-0.54
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(sulfamoyl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(sulfamoyl)amino]acetate (CID 59773965) is ethyl 2-[propyl(sulfamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(sulfamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(sulfamoyl)amino]acetate is CCCN(CC(=O)OCC)S(N)(=O)=O.
What is the InChIKey of ethyl 2-[propyl(sulfamoyl)amino]acetate?
The InChIKey is XOAGFUVDZPXPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-3-5-9(14(8,11)12)6-7(10)13-4-2/h3-6H2,1-2H3,(H2,8,11,12).
What are the key properties of ethyl 2-[propyl(sulfamoyl)amino]acetate?
ethyl 2-[propyl(sulfamoyl)amino]acetate has a molecular weight of 224.28 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(sulfamoyl)amino]acetate is sourced from PubChem (CID 59773965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).