3-(dimethylsulfamoylamino)propanoic acid

C5H12N2O4S — CID 3435571

IUPAC3-(dimethylsulfamoylamino)propanoic acid
SMILESCN(C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C5H12N2O4S/c1-7(2)12(10,11)6-4-3-5(8)9/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyXMIPFIKXSTVKHL-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.14
Rot. Bonds5

About 3-(dimethylsulfamoylamino)propanoic acid

3-(dimethylsulfamoylamino)propanoic acid (PubChem CID 3435571) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)propanoic acid
PubChem CID3435571
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name3-(dimethylsulfamoylamino)propanoic acid
SMILESCN(C)S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C5H12N2O4S/c1-7(2)12(10,11)6-4-3-5(8)9/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyXMIPFIKXSTVKHL-UHFFFAOYSA-N
XLogP-1.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bis-beta-alaninium sulfate
CID 167313259
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 65684305
3-[Methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoic acid
CID 65685000
3-[Methyl(2,2,3,3-tetrafluoropropylsulfamoyl)amino]propanoic acid
CID 114169177
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 114805726
3-[2,2-Difluoroethylsulfamoyl(methyl)amino]propanoic acid
CID 115405555
3-[Methyl(4,4,4-trifluorobutylsulfamoyl)amino]propanoic acid
CID 115515856
3-Amino-2-(dimethylsulfamoylamino)propanoic acid
CID 23223724
2-(Dimethylsulfamoylamino)propanoic acid
CID 24262836
(2S)-2-(dimethylsulfamoylamino)propanoic acid
CID 28363742
2-Amino-3-(dimethylsulfamoylamino)propanoic acid
CID 53905249
3-[Di(propan-2-yl)sulfamoylamino]propanoic acid
CID 87891137

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)propanoic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)propanoic acid (CID 3435571) is 3-(dimethylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)propanoic acid is CN(C)S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(dimethylsulfamoylamino)propanoic acid?
The InChIKey is XMIPFIKXSTVKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-7(2)12(10,11)6-4-3-5(8)9/h6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-(dimethylsulfamoylamino)propanoic acid?
3-(dimethylsulfamoylamino)propanoic acid has a molecular weight of 196.23 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 3435571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).