2-sulfamoylacetic acid

C2H5NO4S — CID 11083961

IUPAC2-sulfamoylacetic acid
SMILESNS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S/c3-8(6,7)1-2(4)5/h1H2,(H,4,5)(H2,3,6,7)
InChIKeyFUYOZIVWKHUWQX-UHFFFAOYSA-N
MW139.13 g/mol
LogP-1.64
Rot. Bonds2

About 2-sulfamoylacetic acid

2-sulfamoylacetic acid (PubChem CID 11083961) has the molecular formula C2H5NO4S and a molecular weight of 139.13 g/mol. Its IUPAC name is 2-sulfamoylacetic acid.

Molecular Properties

Compound Name2-sulfamoylacetic acid
PubChem CID11083961
Molecular FormulaC2H5NO4S
Molecular Weight139.13 g/mol
Exact Mass138.99
IUPAC Name2-sulfamoylacetic acid
SMILESNS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S/c3-8(6,7)1-2(4)5/h1H2,(H,4,5)(H2,3,6,7)
InChIKeyFUYOZIVWKHUWQX-UHFFFAOYSA-N
XLogP-1.64
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylacetic acid?
The IUPAC name of 2-sulfamoylacetic acid (CID 11083961) is 2-sulfamoylacetic acid.
What is the SMILES notation for 2-sulfamoylacetic acid?
The canonical SMILES for 2-sulfamoylacetic acid is NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-sulfamoylacetic acid?
The InChIKey is FUYOZIVWKHUWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S/c3-8(6,7)1-2(4)5/h1H2,(H,4,5)(H2,3,6,7).
What are the key properties of 2-sulfamoylacetic acid?
2-sulfamoylacetic acid has a molecular weight of 139.13 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylacetic acid is sourced from PubChem (CID 11083961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).