2-(dimethylsulfamoyl)propanoic acid

C5H11NO4S — CID 61454534

IUPAC2-(dimethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C5H11NO4S/c1-4(5(7)8)11(9,10)6(2)3/h4H,1-3H3,(H,7,8)
InChIKeyPFEQXVYJDHSXEU-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.65
Rot. Bonds3

About 2-(dimethylsulfamoyl)propanoic acid

2-(dimethylsulfamoyl)propanoic acid (PubChem CID 61454534) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)propanoic acid
PubChem CID61454534
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2-(dimethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C5H11NO4S/c1-4(5(7)8)11(9,10)6(2)3/h4H,1-3H3,(H,7,8)
InChIKeyPFEQXVYJDHSXEU-UHFFFAOYSA-N
XLogP-0.65
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(dimethylsulfamoyl)propanoic acid (CID 61454534) is 2-(dimethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(dimethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(dimethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoyl)propanoic acid?
The InChIKey is PFEQXVYJDHSXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-4(5(7)8)11(9,10)6(2)3/h4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylsulfamoyl)propanoic acid?
2-(dimethylsulfamoyl)propanoic acid has a molecular weight of 181.21 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).