methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate

C11H20N4O4S — CID 104693950

IUPACmethyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C11H20N4O4S/c1-14(9-6-11(16)19-3)20(17,18)13-8-5-10-4-7-12-15(10)2/h4,7,13H,5-6,8-9H2,1-3H3
InChIKeyIHFQVXZGMFWSSB-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.71
Rot. Bonds8

About methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate

methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate (PubChem CID 104693950) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
PubChem CID104693950
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Namemethyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C11H20N4O4S/c1-14(9-6-11(16)19-3)20(17,18)13-8-5-10-4-7-12-15(10)2/h4,7,13H,5-6,8-9H2,1-3H3
InChIKeyIHFQVXZGMFWSSB-UHFFFAOYSA-N
XLogP-0.71
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[methyl-[2-(2-methylpyrazol-3-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-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
CID 103744445
methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
CID 104600365
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl-methylamino]propanoate
CID 107229626
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
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
methyl 2-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetate
CID 103005690
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
CID 113251862
methyl 3-[methyl(2-phenylethylsulfonyl)amino]propanoate
CID 54942207
5-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylpyrazole
CID 106064953
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate (CID 104693950) is methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCCc1ccnn1C.
What is the InChIKey of methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate?
The InChIKey is IHFQVXZGMFWSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-14(9-6-11(16)19-3)20(17,18)13-8-5-10-4-7-12-15(10)2/h4,7,13H,5-6,8-9H2,1-3H3.
What are the key properties of methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate?
methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate has a molecular weight of 304.37 g/mol, XLogP of -0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate is sourced from PubChem (CID 104693950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).