methyl 3-[ethyl(methylsulfamoyl)amino]propanoate

C7H16N2O4S — CID 114811511

IUPACmethyl 3-[ethyl(methylsulfamoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)NC
InChIInChI=1S/C7H16N2O4S/c1-4-9(14(11,12)8-2)6-5-7(10)13-3/h8H,4-6H2,1-3H3
InChIKeyLOLHRGVCSCYOCZ-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.66
Rot. Bonds6

About methyl 3-[ethyl(methylsulfamoyl)amino]propanoate

methyl 3-[ethyl(methylsulfamoyl)amino]propanoate (PubChem CID 114811511) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 3-[ethyl(methylsulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(methylsulfamoyl)amino]propanoate
PubChem CID114811511
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Namemethyl 3-[ethyl(methylsulfamoyl)amino]propanoate
SMILESCCN(CCC(=O)OC)S(=O)(=O)NC
InChIInChI=1S/C7H16N2O4S/c1-4-9(14(11,12)8-2)6-5-7(10)13-3/h8H,4-6H2,1-3H3
InChIKeyLOLHRGVCSCYOCZ-UHFFFAOYSA-N
XLogP-0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl(methylsulfamoyl)amino]acetate
CID 114811545
methyl 3-[ethyl(prop-2-enylsulfonyl)amino]propanoate
CID 79673015
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 3-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]propanoate
CID 54992634
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
methyl 3-[ethyl-(4-propylphenyl)sulfonylamino]propanoate
CID 61009529
methyl 3-[ethyl-(2-fluorophenyl)sulfonylamino]propanoate
CID 51891975
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338
methyl 3-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]propanoate
CID 62373306
methyl 3-[ethyl-(2,3,4-trifluorophenyl)sulfonylamino]propanoate
CID 61009932

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(methylsulfamoyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(methylsulfamoyl)amino]propanoate (CID 114811511) is methyl 3-[ethyl(methylsulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(methylsulfamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(methylsulfamoyl)amino]propanoate is CCN(CCC(=O)OC)S(=O)(=O)NC.
What is the InChIKey of methyl 3-[ethyl(methylsulfamoyl)amino]propanoate?
The InChIKey is LOLHRGVCSCYOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-4-9(14(11,12)8-2)6-5-7(10)13-3/h8H,4-6H2,1-3H3.
What are the key properties of methyl 3-[ethyl(methylsulfamoyl)amino]propanoate?
methyl 3-[ethyl(methylsulfamoyl)amino]propanoate has a molecular weight of 224.28 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(methylsulfamoyl)amino]propanoate is sourced from PubChem (CID 114811511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).