methylsulfonylsulfamoylmethanesulfonic acid

C2H7NO7S3 — CID 59645093

IUPACmethylsulfonylsulfamoylmethanesulfonic acid
SMILESCS(=O)(=O)NS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C2H7NO7S3/c1-11(4,5)3-12(6,7)2-13(8,9)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeyQCDVMQJFZCCRST-UHFFFAOYSA-N
MW253.28 g/mol
LogP-2.29
Rot. Bonds4

About methylsulfonylsulfamoylmethanesulfonic acid

methylsulfonylsulfamoylmethanesulfonic acid (PubChem CID 59645093) has the molecular formula C2H7NO7S3 and a molecular weight of 253.28 g/mol. Its IUPAC name is methylsulfonylsulfamoylmethanesulfonic acid.

Molecular Properties

Compound Namemethylsulfonylsulfamoylmethanesulfonic acid
PubChem CID59645093
Molecular FormulaC2H7NO7S3
Molecular Weight253.28 g/mol
Exact Mass252.94
IUPAC Namemethylsulfonylsulfamoylmethanesulfonic acid
SMILESCS(=O)(=O)NS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C2H7NO7S3/c1-11(4,5)3-12(6,7)2-13(8,9)10/h3H,2H2,1H3,(H,8,9,10)
InChIKeyQCDVMQJFZCCRST-UHFFFAOYSA-N
XLogP-2.29
TPSA134.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-2.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 methylsulfonylsulfamoylmethanesulfonic acid?
The IUPAC name of methylsulfonylsulfamoylmethanesulfonic acid (CID 59645093) is methylsulfonylsulfamoylmethanesulfonic acid.
What is the SMILES notation for methylsulfonylsulfamoylmethanesulfonic acid?
The canonical SMILES for methylsulfonylsulfamoylmethanesulfonic acid is CS(=O)(=O)NS(=O)(=O)CS(=O)(=O)O.
What is the InChIKey of methylsulfonylsulfamoylmethanesulfonic acid?
The InChIKey is QCDVMQJFZCCRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO7S3/c1-11(4,5)3-12(6,7)2-13(8,9)10/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of methylsulfonylsulfamoylmethanesulfonic acid?
methylsulfonylsulfamoylmethanesulfonic acid has a molecular weight of 253.28 g/mol, XLogP of -2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfamoylmethanesulfonic acid is sourced from PubChem (CID 59645093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).