2-(dimethylaminosulfamoyl)propanoic acid

C5H12N2O4S — CID 83004976

IUPAC2-(dimethylaminosulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NN(C)C
InChIInChI=1S/C5H12N2O4S/c1-4(5(8)9)12(10,11)6-7(2)3/h4,6H,1-3H3,(H,8,9)
InChIKeyIEAQMFQELOUKGW-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.14
Rot. Bonds4

About 2-(dimethylaminosulfamoyl)propanoic acid

2-(dimethylaminosulfamoyl)propanoic acid (PubChem CID 83004976) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(dimethylaminosulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(dimethylaminosulfamoyl)propanoic acid
PubChem CID83004976
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name2-(dimethylaminosulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NN(C)C
InChIInChI=1S/C5H12N2O4S/c1-4(5(8)9)12(10,11)6-7(2)3/h4,6H,1-3H3,(H,8,9)
InChIKeyIEAQMFQELOUKGW-UHFFFAOYSA-N
XLogP-1.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 2-(dimethylaminosulfamoyl)propanoic acid?
The IUPAC name of 2-(dimethylaminosulfamoyl)propanoic acid (CID 83004976) is 2-(dimethylaminosulfamoyl)propanoic acid.
What is the SMILES notation for 2-(dimethylaminosulfamoyl)propanoic acid?
The canonical SMILES for 2-(dimethylaminosulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NN(C)C.
What is the InChIKey of 2-(dimethylaminosulfamoyl)propanoic acid?
The InChIKey is IEAQMFQELOUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-4(5(8)9)12(10,11)6-7(2)3/h4,6H,1-3H3,(H,8,9).
What are the key properties of 2-(dimethylaminosulfamoyl)propanoic acid?
2-(dimethylaminosulfamoyl)propanoic acid has a molecular weight of 196.23 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminosulfamoyl)propanoic acid is sourced from PubChem (CID 83004976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).