ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate

C10H22N2O4S — CID 54960704

IUPACethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate
SMILESCCCCN(C)S(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C10H22N2O4S/c1-5-7-8-12(4)17(14,15)11-9(3)10(13)16-6-2/h9,11H,5-8H2,1-4H3
InChIKeyOYADVHLXSGLINB-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.50
Rot. Bonds8

About ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate

ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate (PubChem CID 54960704) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate
PubChem CID54960704
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate
SMILESCCCCN(C)S(=O)(=O)NC(C)C(=O)OCC
InChIInChI=1S/C10H22N2O4S/c1-5-7-8-12(4)17(14,15)11-9(3)10(13)16-6-2/h9,11H,5-8H2,1-4H3
InChIKeyOYADVHLXSGLINB-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate?
The IUPAC name of ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate (CID 54960704) is ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate is CCCCN(C)S(=O)(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate?
The InChIKey is OYADVHLXSGLINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-7-8-12(4)17(14,15)11-9(3)10(13)16-6-2/h9,11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate?
ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate has a molecular weight of 266.36 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[butyl(methyl)sulfamoyl]amino]propanoate is sourced from PubChem (CID 54960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).