nitramidooxysulfonylformic acid

CH2N2O7S — CID 152650604

IUPACnitramidooxysulfonylformic acid
SMILESO=C(O)S(=O)(=O)ON[N+](=O)[O-]
InChIInChI=1S/CH2N2O7S/c4-1(5)11(8,9)10-2-3(6)7/h2H,(H,4,5)
InChIKeyZHLWYTKRTWXXQN-UHFFFAOYSA-N
MW186.10 g/mol
LogP-1.29
Rot. Bonds3

About nitramidooxysulfonylformic acid

nitramidooxysulfonylformic acid (PubChem CID 152650604) has the molecular formula CH2N2O7S and a molecular weight of 186.10 g/mol. Its IUPAC name is nitramidooxysulfonylformic acid.

Molecular Properties

Compound Namenitramidooxysulfonylformic acid
PubChem CID152650604
Molecular FormulaCH2N2O7S
Molecular Weight186.10 g/mol
Exact Mass185.96
IUPAC Namenitramidooxysulfonylformic acid
SMILESO=C(O)S(=O)(=O)ON[N+](=O)[O-]
InChIInChI=1S/CH2N2O7S/c4-1(5)11(8,9)10-2-3(6)7/h2H,(H,4,5)
InChIKeyZHLWYTKRTWXXQN-UHFFFAOYSA-N
XLogP-1.29
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

nitrooxysulfonylformic acid
CID 149152005
nitrocarbamic acid
CID 19704539
dilithium;hydride;nitric acid;oxalic acid
CID 173422788
1,3-dinitrourea
CID 10866514
hydrogen peroxide;nitric acid
CID 22590704
oxalic acid;palladium;nitrate
CID 87788408
disodium bis(N-hydroxynitramide)
CID 170923716
carbonic acid;cerium;nitric acid
CID 174736285
sodium;sulfuric acid;nitrate
CID 131742416
carbonic acid;methane;nitric acid
CID 172861779
potassium;sulfuric acid;nitrate
CID 23434685
azane;methyl N-nitrocarbamate
CID 12859349

Frequently Asked Questions

What is the IUPAC name of nitramidooxysulfonylformic acid?
The IUPAC name of nitramidooxysulfonylformic acid (CID 152650604) is nitramidooxysulfonylformic acid.
What is the SMILES notation for nitramidooxysulfonylformic acid?
The canonical SMILES for nitramidooxysulfonylformic acid is O=C(O)S(=O)(=O)ON[N+](=O)[O-].
What is the InChIKey of nitramidooxysulfonylformic acid?
The InChIKey is ZHLWYTKRTWXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O7S/c4-1(5)11(8,9)10-2-3(6)7/h2H,(H,4,5).
What are the key properties of nitramidooxysulfonylformic acid?
nitramidooxysulfonylformic acid has a molecular weight of 186.10 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitramidooxysulfonylformic acid is sourced from PubChem (CID 152650604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).