methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate

C11H23N3O5S — CID 103106859

IUPACmethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C11H23N3O5S/c1-6-13(3)11(16)9(2)12-20(17,18)14(4)8-7-10(15)19-5/h9,12H,6-8H2,1-5H3
InChIKeyLGVONDJXJZDSII-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.82
Rot. Bonds8

About methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate

methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate (PubChem CID 103106859) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
PubChem CID103106859
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC Namemethyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
SMILESCCN(C)C(=O)C(C)NS(=O)(=O)N(C)CCC(=O)OC
InChIInChI=1S/C11H23N3O5S/c1-6-13(3)11(16)9(2)12-20(17,18)14(4)8-7-10(15)19-5/h9,12H,6-8H2,1-5H3
InChIKeyLGVONDJXJZDSII-UHFFFAOYSA-N
XLogP-0.82
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride
CID 119983413
methyl 4-[methyl-[2-(propylsulfonylamino)propanoyl]amino]butanoate
CID 60714617
methyl 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108728
methyl 3-[hex-5-yn-3-ylsulfamoyl(methyl)amino]propanoate
CID 113250617
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl 3-[[(1S)-1-(4-bromophenyl)ethyl]sulfamoyl-methylamino]propanoate
CID 81356656
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]butanoate
CID 103108828
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate (CID 103106859) is methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate is CCN(C)C(=O)C(C)NS(=O)(=O)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate?
The InChIKey is LGVONDJXJZDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-6-13(3)11(16)9(2)12-20(17,18)14(4)8-7-10(15)19-5/h9,12H,6-8H2,1-5H3.
What are the key properties of methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate?
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate has a molecular weight of 309.39 g/mol, XLogP of -0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 103106859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).