[methyl(sulfonato)azaniumyl]methane

C2H7NO3S — CID 5258386

IUPAC[methyl(sulfonato)azaniumyl]methane
SMILESC[NH+](C)S(=O)(=O)[O-]
InChIInChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)
InChIKeyYGNOYUCUPMACDT-UHFFFAOYSA-N
MW125.15 g/mol
LogP-2.41
Rot. Bonds1

About [methyl(sulfonato)azaniumyl]methane

[methyl(sulfonato)azaniumyl]methane (PubChem CID 5258386) has the molecular formula C2H7NO3S and a molecular weight of 125.15 g/mol. Its IUPAC name is [methyl(sulfonato)azaniumyl]methane.

Molecular Properties

Compound Name[methyl(sulfonato)azaniumyl]methane
PubChem CID5258386
Molecular FormulaC2H7NO3S
Molecular Weight125.15 g/mol
Exact Mass125.01
IUPAC Name[methyl(sulfonato)azaniumyl]methane
SMILESC[NH+](C)S(=O)(=O)[O-]
InChIInChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6)
InChIKeyYGNOYUCUPMACDT-UHFFFAOYSA-N
XLogP-2.41
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [methyl(sulfonato)azaniumyl]methane?
The IUPAC name of [methyl(sulfonato)azaniumyl]methane (CID 5258386) is [methyl(sulfonato)azaniumyl]methane.
What is the SMILES notation for [methyl(sulfonato)azaniumyl]methane?
The canonical SMILES for [methyl(sulfonato)azaniumyl]methane is C[NH+](C)S(=O)(=O)[O-].
What is the InChIKey of [methyl(sulfonato)azaniumyl]methane?
The InChIKey is YGNOYUCUPMACDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S/c1-3(2)7(4,5)6/h1-2H3,(H,4,5,6).
What are the key properties of [methyl(sulfonato)azaniumyl]methane?
[methyl(sulfonato)azaniumyl]methane has a molecular weight of 125.15 g/mol, XLogP of -2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfonato)azaniumyl]methane is sourced from PubChem (CID 5258386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).