methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate

C9H14N2O4S2 — CID 66351480

IUPACmethyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C9H14N2O4S2/c1-11(5-3-9(12)15-2)17(13,14)10-8-4-6-16-7-8/h4,6-7,10H,3,5H2,1-2H3
InChIKeyZBFNBFCCTOQXDD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.90
Rot. Bonds6

About methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate

methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate (PubChem CID 66351480) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
PubChem CID66351480
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Namemethyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C9H14N2O4S2/c1-11(5-3-9(12)15-2)17(13,14)10-8-4-6-16-7-8/h4,6-7,10H,3,5H2,1-2H3
InChIKeyZBFNBFCCTOQXDD-UHFFFAOYSA-N
XLogP0.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[methyl(thiophen-3-ylsulfamoyl)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-[(4-bromo-3,5-dimethylphenyl)sulfamoyl-methylamino]propanoate
CID 107571636
methyl 3-[(3-fluoro-5-methylphenyl)sulfamoyl-methylamino]propanoate
CID 79054852
methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
CID 107584640
methyl 3-[(2,6-difluoro-3-methylphenyl)sulfamoyl-methylamino]propanoate
CID 82798709
methyl 3-[(4-bromo-2,3-dichlorophenyl)sulfamoyl-methylamino]propanoate
CID 107787368
methyl 3-[(2-bromo-4-chlorophenyl)sulfamoyl-methylamino]propanoate
CID 81264072
methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
CID 113433480
methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl-methylamino]propanoate
CID 107229626
methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
CID 104600365
methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate
CID 107734048
3-[[3-(dimethylamino)-4-methylphenyl]sulfamoyl-methylamino]propanoic acid
CID 115376567
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate (CID 66351480) is methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)Nc1ccsc1.
What is the InChIKey of methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate?
The InChIKey is ZBFNBFCCTOQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-11(5-3-9(12)15-2)17(13,14)10-8-4-6-16-7-8/h4,6-7,10H,3,5H2,1-2H3.
What are the key properties of methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate?
methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate has a molecular weight of 278.36 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate is sourced from PubChem (CID 66351480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).