ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate

C11H22N2O4S — CID 78977560

IUPACethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O4S/c1-6-8-13(9-11(14)17-7-2)18(15,16)12(5)10(3)4/h6,10H,1,7-9H2,2-5H3
InChIKeyIOXDTYDWRACJGH-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.62
Rot. Bonds8

About ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate

ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate (PubChem CID 78977560) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate
PubChem CID78977560
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O4S/c1-6-8-13(9-11(14)17-7-2)18(15,16)12(5)10(3)4/h6,10H,1,7-9H2,2-5H3
InChIKeyIOXDTYDWRACJGH-UHFFFAOYSA-N
XLogP0.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.62
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-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate (CID 78977560) is ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate?
The InChIKey is IOXDTYDWRACJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-6-8-13(9-11(14)17-7-2)18(15,16)12(5)10(3)4/h6,10H,1,7-9H2,2-5H3.
What are the key properties of ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate?
ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate has a molecular weight of 278.37 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78977560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).