ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate

C9H16N2O6S — CID 114465571

IUPACethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C9H16N2O6S/c1-4-6-11(7-8(12)17-5-2)18(14,15)10-9(13)16-3/h4H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyXDNSEFFYZMZXIS-UHFFFAOYSA-N
MW280.30 g/mol
LogP-0.36
Rot. Bonds7

About ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate

ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate (PubChem CID 114465571) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate
PubChem CID114465571
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Nameethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C9H16N2O6S/c1-4-6-11(7-8(12)17-5-2)18(14,15)10-9(13)16-3/h4H,1,5-7H2,2-3H3,(H,10,13)
InChIKeyXDNSEFFYZMZXIS-UHFFFAOYSA-N
XLogP-0.36
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate (CID 114465571) is ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)S(=O)(=O)NC(=O)OC.
What is the InChIKey of ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate?
The InChIKey is XDNSEFFYZMZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-4-6-11(7-8(12)17-5-2)18(14,15)10-9(13)16-3/h4H,1,5-7H2,2-3H3,(H,10,13).
What are the key properties of ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate?
ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate has a molecular weight of 280.30 g/mol, XLogP of -0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methoxycarbonylsulfamoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 114465571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).