sulfamoylmethanesulfonic acid

CH5NO5S2 — CID 54528747

IUPACsulfamoylmethanesulfonic acid
SMILESNS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/CH5NO5S2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H,5,6,7)
InChIKeyYUZJXVJNRWFLCZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.88
Rot. Bonds2

About sulfamoylmethanesulfonic acid

sulfamoylmethanesulfonic acid (PubChem CID 54528747) has the molecular formula CH5NO5S2 and a molecular weight of 175.19 g/mol. Its IUPAC name is sulfamoylmethanesulfonic acid.

Molecular Properties

Compound Namesulfamoylmethanesulfonic acid
PubChem CID54528747
Molecular FormulaCH5NO5S2
Molecular Weight175.19 g/mol
Exact Mass174.96
IUPAC Namesulfamoylmethanesulfonic acid
SMILESNS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/CH5NO5S2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H,5,6,7)
InChIKeyYUZJXVJNRWFLCZ-UHFFFAOYSA-N
XLogP-1.88
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfamoylmethanesulfonic acid?
The IUPAC name of sulfamoylmethanesulfonic acid (CID 54528747) is sulfamoylmethanesulfonic acid.
What is the SMILES notation for sulfamoylmethanesulfonic acid?
The canonical SMILES for sulfamoylmethanesulfonic acid is NS(=O)(=O)CS(=O)(=O)O.
What is the InChIKey of sulfamoylmethanesulfonic acid?
The InChIKey is YUZJXVJNRWFLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO5S2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H,5,6,7).
What are the key properties of sulfamoylmethanesulfonic acid?
sulfamoylmethanesulfonic acid has a molecular weight of 175.19 g/mol, XLogP of -1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoylmethanesulfonic acid is sourced from PubChem (CID 54528747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).