azane;methanesulfonic acid;hydrate

CH9NO4S — CID 141152760

IUPACazane;methanesulfonic acid;hydrate
SMILESCS(=O)(=O)O.N.O
InChIInChI=1S/CH4O3S.H3N.H2O/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H3;1H2
InChIKeyWSXQLLXGSOLLEE-UHFFFAOYSA-N
MW131.15 g/mol
LogP-1.16
Rot. Bonds

About azane;methanesulfonic acid;hydrate

azane;methanesulfonic acid;hydrate (PubChem CID 141152760) has the molecular formula CH9NO4S and a molecular weight of 131.15 g/mol. Its IUPAC name is azane;methanesulfonic acid;hydrate.

Molecular Properties

Compound Nameazane;methanesulfonic acid;hydrate
PubChem CID141152760
Molecular FormulaCH9NO4S
Molecular Weight131.15 g/mol
Exact Mass131.03
IUPAC Nameazane;methanesulfonic acid;hydrate
SMILESCS(=O)(=O)O.N.O
InChIInChI=1S/CH4O3S.H3N.H2O/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H3;1H2
InChIKeyWSXQLLXGSOLLEE-UHFFFAOYSA-N
XLogP-1.16
TPSA120.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;methanesulfonic acid;hydrate?
The IUPAC name of azane;methanesulfonic acid;hydrate (CID 141152760) is azane;methanesulfonic acid;hydrate.
What is the SMILES notation for azane;methanesulfonic acid;hydrate?
The canonical SMILES for azane;methanesulfonic acid;hydrate is CS(=O)(=O)O.N.O.
What is the InChIKey of azane;methanesulfonic acid;hydrate?
The InChIKey is WSXQLLXGSOLLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.H3N.H2O/c1-5(2,3)4;;/h1H3,(H,2,3,4);1H3;1H2.
What are the key properties of azane;methanesulfonic acid;hydrate?
azane;methanesulfonic acid;hydrate has a molecular weight of 131.15 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanesulfonic acid;hydrate is sourced from PubChem (CID 141152760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).