methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate

C7H16N2O4S — CID 61072575

IUPACmethyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O4S/c1-8(2)14(11,12)9(3)6-5-7(10)13-4/h5-6H2,1-4H3
InChIKeyCGLXGFFWPUDXAK-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.71
Rot. Bonds5

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

methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate (PubChem CID 61072575) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
PubChem CID61072575
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Namemethyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C7H16N2O4S/c1-8(2)14(11,12)9(3)6-5-7(10)13-4/h5-6H2,1-4H3
InChIKeyCGLXGFFWPUDXAK-UHFFFAOYSA-N
XLogP-0.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate
CID 107734048
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[(3-chloro-2-methylpropyl)sulfonyl-methylamino]propanoate
CID 79585964
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-methylamino]propanoate
CID 115556499
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[methyl(piperidin-1-ylsulfamoyl)amino]propanoate
CID 83004152
methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
CID 175531341
methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346

Frequently Asked Questions

What is the IUPAC name of methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate (CID 61072575) is methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)N(C)C.
What is the InChIKey of methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate?
The InChIKey is CGLXGFFWPUDXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-8(2)14(11,12)9(3)6-5-7(10)13-4/h5-6H2,1-4H3.
What are the key properties of methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate?
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate has a molecular weight of 224.28 g/mol, XLogP of -0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate is sourced from PubChem (CID 61072575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).