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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Related Compounds

ethyl 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate
CID 11587455
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
CID 115539173
ethyl 2-[2-phenylethylsulfonyl(prop-2-enyl)amino]acetate
CID 78978422
3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 106484521
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 2-[(1-methylimidazol-4-yl)sulfonyl-prop-2-enylamino]acetate
CID 78924674
ethyl 2-[(3-chlorophenyl)sulfonyl-prop-2-enylamino]acetate
CID 78977818
ethyl 2-[(2-methylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetate
CID 78977663
ethyl 2-[prop-2-enyl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 115538843
ethyl 2-[3-methylsulfonylpropanoyl(prop-2-enyl)amino]acetate
CID 78978338
ethyl 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-prop-2-enylamino]acetate
CID 115538991

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).