methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate

C9H16N4O5S — CID 103744445

IUPACmethyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O5S/c1-13(6-4-9(14)17-2)19(15,16)12-5-3-8-10-7-11-18-8/h7,12H,3-6H2,1-2H3
InChIKeyOOMMYUYHLWJOBD-UHFFFAOYSA-N
MW292.32 g/mol
LogP-1.06
Rot. Bonds8

About methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate

methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate (PubChem CID 103744445) has the molecular formula C9H16N4O5S and a molecular weight of 292.32 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
PubChem CID103744445
Molecular FormulaC9H16N4O5S
Molecular Weight292.32 g/mol
Exact Mass292.08
IUPAC Namemethyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C9H16N4O5S/c1-13(6-4-9(14)17-2)19(15,16)12-5-3-8-10-7-11-18-8/h7,12H,3-6H2,1-2H3
InChIKeyOOMMYUYHLWJOBD-UHFFFAOYSA-N
XLogP-1.06
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
CID 104693950
methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
CID 104600365
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
CID 113251862
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl-methylamino]propanoate
CID 107229626
methyl 3-[hex-5-ynylsulfamoyl(methyl)amino]propanoate
CID 113255942
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926
methyl 2-[2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]acetate
CID 106400053
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate
CID 103731373

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate (CID 103744445) is methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCCc1ncno1.
What is the InChIKey of methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate?
The InChIKey is OOMMYUYHLWJOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O5S/c1-13(6-4-9(14)17-2)19(15,16)12-5-3-8-10-7-11-18-8/h7,12H,3-6H2,1-2H3.
What are the key properties of methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate?
methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate has a molecular weight of 292.32 g/mol, XLogP of -1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate is sourced from PubChem (CID 103744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).