2-(propylsulfamoyloxy)acetic acid

C5H11NO5S — CID 21328583

IUPAC2-(propylsulfamoyloxy)acetic acid
SMILESCCCNS(=O)(=O)OCC(=O)O
InChIInChI=1S/C5H11NO5S/c1-2-3-6-12(9,10)11-4-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyFINPJASIZNSSBE-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.67
Rot. Bonds6

About 2-(propylsulfamoyloxy)acetic acid

2-(propylsulfamoyloxy)acetic acid (PubChem CID 21328583) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(propylsulfamoyloxy)acetic acid.

Molecular Properties

Compound Name2-(propylsulfamoyloxy)acetic acid
PubChem CID21328583
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Name2-(propylsulfamoyloxy)acetic acid
SMILESCCCNS(=O)(=O)OCC(=O)O
InChIInChI=1S/C5H11NO5S/c1-2-3-6-12(9,10)11-4-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyFINPJASIZNSSBE-UHFFFAOYSA-N
XLogP-0.67
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(propylsulfamoyloxy)acetic 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 2-(propylsulfamoyloxy)acetic acid?
The IUPAC name of 2-(propylsulfamoyloxy)acetic acid (CID 21328583) is 2-(propylsulfamoyloxy)acetic acid.
What is the SMILES notation for 2-(propylsulfamoyloxy)acetic acid?
The canonical SMILES for 2-(propylsulfamoyloxy)acetic acid is CCCNS(=O)(=O)OCC(=O)O.
What is the InChIKey of 2-(propylsulfamoyloxy)acetic acid?
The InChIKey is FINPJASIZNSSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-2-3-6-12(9,10)11-4-5(7)8/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-(propylsulfamoyloxy)acetic acid?
2-(propylsulfamoyloxy)acetic acid has a molecular weight of 197.21 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfamoyloxy)acetic acid is sourced from PubChem (CID 21328583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).