methyl 2-(dimethylsulfamoyl)propanoate

C6H13NO4S — CID 63363151

IUPACmethyl 2-(dimethylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H13NO4S/c1-5(6(8)11-4)12(9,10)7(2)3/h5H,1-4H3
InChIKeyFFOCCEXXLRIKJR-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.56
Rot. Bonds3

About methyl 2-(dimethylsulfamoyl)propanoate

methyl 2-(dimethylsulfamoyl)propanoate (PubChem CID 63363151) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl 2-(dimethylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylsulfamoyl)propanoate
PubChem CID63363151
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Namemethyl 2-(dimethylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)N(C)C
InChIInChI=1S/C6H13NO4S/c1-5(6(8)11-4)12(9,10)7(2)3/h5H,1-4H3
InChIKeyFFOCCEXXLRIKJR-UHFFFAOYSA-N
XLogP-0.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(dimethylsulfamoyl)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 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylsulfamoyl]propanoate
CID 63223458
3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-propan-2-ylamino]propanoic acid
CID 54951313
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
methyl 2-[benzyl(methyl)sulfamoyl]propanoate
CID 10038832
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 115536220
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
CID 63286662
N,N-dimethylpropane-2-sulfonamide;N-methoxy-N,2-dimethylpropanamide
CID 159595183
methyl 2-(4-sulfamoylpiperazin-1-yl)sulfonylpropanoate
CID 61459480
methyl 2-(but-3-yn-2-ylsulfamoyl)propanoate
CID 114419096
methyl 2-[(4-aminophenyl)methyl-propylsulfamoyl]propanoate
CID 61458868

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(dimethylsulfamoyl)propanoate (CID 63363151) is methyl 2-(dimethylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(dimethylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(dimethylsulfamoyl)propanoate is COC(=O)C(C)S(=O)(=O)N(C)C.
What is the InChIKey of methyl 2-(dimethylsulfamoyl)propanoate?
The InChIKey is FFOCCEXXLRIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-5(6(8)11-4)12(9,10)7(2)3/h5H,1-4H3.
What are the key properties of methyl 2-(dimethylsulfamoyl)propanoate?
methyl 2-(dimethylsulfamoyl)propanoate has a molecular weight of 195.24 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylsulfamoyl)propanoate is sourced from PubChem (CID 63363151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).