3-[dimethylsulfamoyl(methyl)amino]propanoic acid

C6H14N2O4S — CID 39242626

IUPAC3-[dimethylsulfamoyl(methyl)amino]propanoic acid
SMILESCN(C)S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-7(2)13(11,12)8(3)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeySGTFJQMKAKYXCB-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.80
Rot. Bonds5

About 3-[dimethylsulfamoyl(methyl)amino]propanoic acid

3-[dimethylsulfamoyl(methyl)amino]propanoic acid (PubChem CID 39242626) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[dimethylsulfamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[dimethylsulfamoyl(methyl)amino]propanoic acid
PubChem CID39242626
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name3-[dimethylsulfamoyl(methyl)amino]propanoic acid
SMILESCN(C)S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-7(2)13(11,12)8(3)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKeySGTFJQMKAKYXCB-UHFFFAOYSA-N
XLogP-0.80
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[dimethylsulfamoyl(methyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsulfamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[dimethylsulfamoyl(methyl)amino]propanoic acid (CID 39242626) is 3-[dimethylsulfamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[dimethylsulfamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[dimethylsulfamoyl(methyl)amino]propanoic acid is CN(C)S(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[dimethylsulfamoyl(methyl)amino]propanoic acid?
The InChIKey is SGTFJQMKAKYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-7(2)13(11,12)8(3)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 3-[dimethylsulfamoyl(methyl)amino]propanoic acid?
3-[dimethylsulfamoyl(methyl)amino]propanoic acid has a molecular weight of 210.25 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsulfamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 39242626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).