N-hydroxyformamide;methanesulfonic acid

C3H11NO8S2 — CID 174740545

IUPACN-hydroxyformamide;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.O=CNO
InChIInChI=1S/CH3NO2.2CH4O3S/c3-1-2-4;2*1-5(2,3)4/h1,4H,(H,2,3);2*1H3,(H,2,3,4)
InChIKeySPLCWNJAXKLVIZ-UHFFFAOYSA-N
MW253.25 g/mol
LogP-1.87
Rot. Bonds1

About N-hydroxyformamide;methanesulfonic acid

N-hydroxyformamide;methanesulfonic acid (PubChem CID 174740545) has the molecular formula C3H11NO8S2 and a molecular weight of 253.25 g/mol. Its IUPAC name is N-hydroxyformamide;methanesulfonic acid.

Molecular Properties

Compound NameN-hydroxyformamide;methanesulfonic acid
PubChem CID174740545
Molecular FormulaC3H11NO8S2
Molecular Weight253.25 g/mol
Exact Mass252.99
IUPAC NameN-hydroxyformamide;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.O=CNO
InChIInChI=1S/CH3NO2.2CH4O3S/c3-1-2-4;2*1-5(2,3)4/h1,4H,(H,2,3);2*1H3,(H,2,3,4)
InChIKeySPLCWNJAXKLVIZ-UHFFFAOYSA-N
XLogP-1.87
TPSA158.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxyformamide;titanium
CID 174147037
CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
ethane;N-methylformamide;sulfuric acid
CID 175117492
azane;methanesulfonic acid;hydrate
CID 141152760
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854

Frequently Asked Questions

What is the IUPAC name of N-hydroxyformamide;methanesulfonic acid?
The IUPAC name of N-hydroxyformamide;methanesulfonic acid (CID 174740545) is N-hydroxyformamide;methanesulfonic acid.
What is the SMILES notation for N-hydroxyformamide;methanesulfonic acid?
The canonical SMILES for N-hydroxyformamide;methanesulfonic acid is CS(=O)(=O)O.CS(=O)(=O)O.O=CNO.
What is the InChIKey of N-hydroxyformamide;methanesulfonic acid?
The InChIKey is SPLCWNJAXKLVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.2CH4O3S/c3-1-2-4;2*1-5(2,3)4/h1,4H,(H,2,3);2*1H3,(H,2,3,4).
What are the key properties of N-hydroxyformamide;methanesulfonic acid?
N-hydroxyformamide;methanesulfonic acid has a molecular weight of 253.25 g/mol, XLogP of -1.87, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyformamide;methanesulfonic acid is sourced from PubChem (CID 174740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).