3-(dimethylaminosulfamoyl)propanoic acid

C5H12N2O4S — CID 83003807

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

About 3-(dimethylaminosulfamoyl)propanoic acid

3-(dimethylaminosulfamoyl)propanoic acid (PubChem CID 83003807) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(dimethylaminosulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylaminosulfamoyl)propanoic acid
PubChem CID83003807
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name3-(dimethylaminosulfamoyl)propanoic acid
SMILESCN(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C5H12N2O4S/c1-7(2)6-12(10,11)4-3-5(8)9/h6H,3-4H2,1-2H3,(H,8,9)
InChIKeyACOBIQQEGHQKIT-UHFFFAOYSA-N
XLogP-1.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylaminosulfamoyl)propanoic acid?
The IUPAC name of 3-(dimethylaminosulfamoyl)propanoic acid (CID 83003807) is 3-(dimethylaminosulfamoyl)propanoic acid.
What is the SMILES notation for 3-(dimethylaminosulfamoyl)propanoic acid?
The canonical SMILES for 3-(dimethylaminosulfamoyl)propanoic acid is CN(C)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(dimethylaminosulfamoyl)propanoic acid?
The InChIKey is ACOBIQQEGHQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-7(2)6-12(10,11)4-3-5(8)9/h6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-(dimethylaminosulfamoyl)propanoic acid?
3-(dimethylaminosulfamoyl)propanoic acid has a molecular weight of 196.23 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylaminosulfamoyl)propanoic acid is sourced from PubChem (CID 83003807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).