acetic acid;2-sulfamoylacetic acid

C4H9NO6S — CID 162311331

IUPACacetic acid;2-sulfamoylacetic acid
SMILESCC(=O)O.NS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S.C2H4O2/c3-8(6,7)1-2(4)5;1-2(3)4/h1H2,(H,4,5)(H2,3,6,7);1H3,(H,3,4)
InChIKeyRHSBMBUCCURIMP-UHFFFAOYSA-N
MW199.18 g/mol
LogP-1.55
Rot. Bonds2

About acetic acid;2-sulfamoylacetic acid

acetic acid;2-sulfamoylacetic acid (PubChem CID 162311331) has the molecular formula C4H9NO6S and a molecular weight of 199.18 g/mol. Its IUPAC name is acetic acid;2-sulfamoylacetic acid.

Molecular Properties

Compound Nameacetic acid;2-sulfamoylacetic acid
PubChem CID162311331
Molecular FormulaC4H9NO6S
Molecular Weight199.18 g/mol
Exact Mass199.02
IUPAC Nameacetic acid;2-sulfamoylacetic acid
SMILESCC(=O)O.NS(=O)(=O)CC(=O)O
InChIInChI=1S/C2H5NO4S.C2H4O2/c3-8(6,7)1-2(4)5;1-2(3)4/h1H2,(H,4,5)(H2,3,6,7);1H3,(H,3,4)
InChIKeyRHSBMBUCCURIMP-UHFFFAOYSA-N
XLogP-1.55
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-sulfamoylacetic acid?
The IUPAC name of acetic acid;2-sulfamoylacetic acid (CID 162311331) is acetic acid;2-sulfamoylacetic acid.
What is the SMILES notation for acetic acid;2-sulfamoylacetic acid?
The canonical SMILES for acetic acid;2-sulfamoylacetic acid is CC(=O)O.NS(=O)(=O)CC(=O)O.
What is the InChIKey of acetic acid;2-sulfamoylacetic acid?
The InChIKey is RHSBMBUCCURIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S.C2H4O2/c3-8(6,7)1-2(4)5;1-2(3)4/h1H2,(H,4,5)(H2,3,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;2-sulfamoylacetic acid?
acetic acid;2-sulfamoylacetic acid has a molecular weight of 199.18 g/mol, XLogP of -1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-sulfamoylacetic acid is sourced from PubChem (CID 162311331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).