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

C9H18N2O4S — CID 78977905

IUPACethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)S(=O)(=O)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-5-7-11(8-9(12)15-6-2)16(13,14)10(3)4/h5H,1,6-8H2,2-4H3
InChIKeyOSVYUKHARPGBAN-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.16
Rot. Bonds7

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

ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate (PubChem CID 78977905) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate
PubChem CID78977905
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)S(=O)(=O)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-5-7-11(8-9(12)15-6-2)16(13,14)10(3)4/h5H,1,6-8H2,2-4H3
InChIKeyOSVYUKHARPGBAN-UHFFFAOYSA-N
XLogP-0.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[dimethylsulfamoyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate (CID 78977905) is ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)S(=O)(=O)N(C)C.
What is the InChIKey of ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate?
The InChIKey is OSVYUKHARPGBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-5-7-11(8-9(12)15-6-2)16(13,14)10(3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate?
ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate has a molecular weight of 250.32 g/mol, XLogP of -0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[dimethylsulfamoyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 78977905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).