azanium methanesulfonate

CH7NO3S — CID 11297950

IUPACazanium methanesulfonate
SMILESCS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/CH4O3S.H3N/c1-5(2,3)4;/h1H3,(H,2,3,4);1H3
InChIKeyQHYIGPGWXQQZSA-UHFFFAOYSA-N
MW113.14 g/mol
LogP-0.46
Rot. Bonds

About azanium methanesulfonate

azanium methanesulfonate (PubChem CID 11297950) has the molecular formula CH7NO3S and a molecular weight of 113.14 g/mol. Its IUPAC name is azanium methanesulfonate.

Molecular Properties

Compound Nameazanium methanesulfonate
PubChem CID11297950
Molecular FormulaCH7NO3S
Molecular Weight113.14 g/mol
Exact Mass113.01
IUPAC Nameazanium methanesulfonate
SMILESCS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/CH4O3S.H3N/c1-5(2,3)4;/h1H3,(H,2,3,4);1H3
InChIKeyQHYIGPGWXQQZSA-UHFFFAOYSA-N
XLogP-0.46
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 5-0.46
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 azanium methanesulfonate?
The IUPAC name of azanium methanesulfonate (CID 11297950) is azanium methanesulfonate.
What is the SMILES notation for azanium methanesulfonate?
The canonical SMILES for azanium methanesulfonate is CS(=O)(=O)[O-].[NH4+].
What is the InChIKey of azanium methanesulfonate?
The InChIKey is QHYIGPGWXQQZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.H3N/c1-5(2,3)4;/h1H3,(H,2,3,4);1H3.
What are the key properties of azanium methanesulfonate?
azanium methanesulfonate has a molecular weight of 113.14 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium methanesulfonate is sourced from PubChem (CID 11297950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).