methyl 3-sulfamoylpropanoate

C4H9NO4S — CID 16787339

IUPACmethyl 3-sulfamoylpropanoate
SMILESCOC(=O)CCS(N)(=O)=O
InChIInChI=1S/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8)
InChIKeyICTSDDRYJKMPGS-UHFFFAOYSA-N
MW167.19 g/mol
LogP-1.16
Rot. Bonds3

About methyl 3-sulfamoylpropanoate

methyl 3-sulfamoylpropanoate (PubChem CID 16787339) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is methyl 3-sulfamoylpropanoate.

Molecular Properties

Compound Namemethyl 3-sulfamoylpropanoate
PubChem CID16787339
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Namemethyl 3-sulfamoylpropanoate
SMILESCOC(=O)CCS(N)(=O)=O
InChIInChI=1S/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8)
InChIKeyICTSDDRYJKMPGS-UHFFFAOYSA-N
XLogP-1.16
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-sulfamoylpropanoate 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-ethylsulfonylpropanoate
CID 19377555
methyl 3-methoxysulfonylpropanoate
CID 11019488
methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
CID 102249368
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
methyl 3-(trifluoromethylsulfonyl)propanoate
CID 122163754
methyl 2-amino-4-sulfamoylbutanoate
CID 54407912
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
methyl 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methylpropanoate
CID 43617848
methyl 3-(cyanomethylsulfonyl)propanoate
CID 43618193
methyl 3-[2-(2-aminoethylamino)-2-oxoethyl]sulfonylpropanoate
CID 64697428
methyl 3-(4-aminobutan-2-ylsulfonyl)propanoate
CID 64697839
ethyl 4-(3-methoxy-3-oxopropyl)sulfonyl-3-oxobutanoate
CID 64636908

Frequently Asked Questions

What is the IUPAC name of methyl 3-sulfamoylpropanoate?
The IUPAC name of methyl 3-sulfamoylpropanoate (CID 16787339) is methyl 3-sulfamoylpropanoate.
What is the SMILES notation for methyl 3-sulfamoylpropanoate?
The canonical SMILES for methyl 3-sulfamoylpropanoate is COC(=O)CCS(N)(=O)=O.
What is the InChIKey of methyl 3-sulfamoylpropanoate?
The InChIKey is ICTSDDRYJKMPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8).
What are the key properties of methyl 3-sulfamoylpropanoate?
methyl 3-sulfamoylpropanoate has a molecular weight of 167.19 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-sulfamoylpropanoate is sourced from PubChem (CID 16787339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).