methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate

C8H18N4O5S — CID 83116212

IUPACmethyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C8H18N4O5S/c1-12(6-3-7(13)17-2)18(15,16)11-5-4-10-8(9)14/h11H,3-6H2,1-2H3,(H3,9,10,14)
InChIKeyWYGWYGINSFJODT-UHFFFAOYSA-N
MW282.32 g/mol
LogP-2.02
Rot. Bonds8

About methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate

methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate (PubChem CID 83116212) has the molecular formula C8H18N4O5S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
PubChem CID83116212
Molecular FormulaC8H18N4O5S
Molecular Weight282.32 g/mol
Exact Mass282.10
IUPAC Namemethyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCNC(N)=O
InChIInChI=1S/C8H18N4O5S/c1-12(6-3-7(13)17-2)18(15,16)11-5-4-10-8(9)14/h11H,3-6H2,1-2H3,(H3,9,10,14)
InChIKeyWYGWYGINSFJODT-UHFFFAOYSA-N
XLogP-2.02
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]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-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfamoyl]amino]propanoate
CID 103731364
methyl 3-[hex-5-ynylsulfamoyl(methyl)amino]propanoate
CID 113255942
methyl 3-[4-(2-methoxyethoxy)butylsulfamoyl-methylamino]propanoate
CID 115677926
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361
3-[2-(dimethylcarbamoylamino)ethylsulfamoyl-methylamino]propanoic acid
CID 83115936
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate (CID 83116212) is methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCCNC(N)=O.
What is the InChIKey of methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate?
The InChIKey is WYGWYGINSFJODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O5S/c1-12(6-3-7(13)17-2)18(15,16)11-5-4-10-8(9)14/h11H,3-6H2,1-2H3,(H3,9,10,14).
What are the key properties of methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate?
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate has a molecular weight of 282.32 g/mol, XLogP of -2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate is sourced from PubChem (CID 83116212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).