methyl 3-[methyl(sulfamoyl)amino]propanoate

C5H12N2O4S — CID 61072146

IUPACmethyl 3-[methyl(sulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(N)(=O)=O
InChIInChI=1S/C5H12N2O4S/c1-7(12(6,9)10)4-3-5(8)11-2/h3-4H2,1-2H3,(H2,6,9,10)
InChIKeyLBRBZERVQBLLDH-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.32
Rot. Bonds4

About methyl 3-[methyl(sulfamoyl)amino]propanoate

methyl 3-[methyl(sulfamoyl)amino]propanoate (PubChem CID 61072146) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is methyl 3-[methyl(sulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(sulfamoyl)amino]propanoate
PubChem CID61072146
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Namemethyl 3-[methyl(sulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(N)(=O)=O
InChIInChI=1S/C5H12N2O4S/c1-7(12(6,9)10)4-3-5(8)11-2/h3-4H2,1-2H3,(H2,6,9,10)
InChIKeyLBRBZERVQBLLDH-UHFFFAOYSA-N
XLogP-1.32
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-((chlorosulfonyl)(methyl)amino)propanoate
CID 54595513
Methyl 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoate
CID 65684304
Methyl 3-[methyl-[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoate
CID 65686693
Methyl 3-[methyl(2,2,2-trifluoroethoxysulfamoyl)amino]propanoate
CID 82707426
Methyl 3-[sulfamoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 112573663
1-Methoxy-3-[(3-methoxy-3-oxopropyl)-sulfinatoamino]-1-oxopropane
CID 57236195
Methoxycarbonyl-sulfamoyltriethylammonium
CID 86641822
Diethyl-(3-methoxy-3-oxopropyl)-sulfamoylazanium hydroxide
CID 87623713
Methyl 3-[(3-methoxy-3-oxopropyl)-sulfanylamino]propanoate
CID 158912062
Methyl 3-(dimethylamino)propanoate;sulfuric acid
CID 175924259
Methyl 3-(methylsulfamoylamino)propanoate
CID 14148291
3-[Dimethylsulfamoyl(methyl)amino]propanoic acid
CID 39242626

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(sulfamoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(sulfamoyl)amino]propanoate (CID 61072146) is methyl 3-[methyl(sulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(sulfamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(sulfamoyl)amino]propanoate is COC(=O)CCN(C)S(N)(=O)=O.
What is the InChIKey of methyl 3-[methyl(sulfamoyl)amino]propanoate?
The InChIKey is LBRBZERVQBLLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-7(12(6,9)10)4-3-5(8)11-2/h3-4H2,1-2H3,(H2,6,9,10).
What are the key properties of methyl 3-[methyl(sulfamoyl)amino]propanoate?
methyl 3-[methyl(sulfamoyl)amino]propanoate has a molecular weight of 196.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(sulfamoyl)amino]propanoate is sourced from PubChem (CID 61072146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).