(sulfinatoamino)oxymethane

CH4NO3S- — CID 21394688

IUPAC(sulfinatoamino)oxymethane
SMILESCONS(=O)[O-]
InChIInChI=1S/CH5NO3S/c1-5-2-6(3)4/h2H,1H3,(H,3,4)/p-1
InChIKeyGMBVIPFNWPCEQI-UHFFFAOYSA-M
MW110.11 g/mol
LogP-1.07
Rot. Bonds2

About (sulfinatoamino)oxymethane

(sulfinatoamino)oxymethane (PubChem CID 21394688) has the molecular formula CH4NO3S- and a molecular weight of 110.11 g/mol. Its IUPAC name is (sulfinatoamino)oxymethane.

Molecular Properties

Compound Name(sulfinatoamino)oxymethane
PubChem CID21394688
Molecular FormulaCH4NO3S-
Molecular Weight110.11 g/mol
Exact Mass109.99
IUPAC Name(sulfinatoamino)oxymethane
SMILESCONS(=O)[O-]
InChIInChI=1S/CH5NO3S/c1-5-2-6(3)4/h2H,1H3,(H,3,4)/p-1
InChIKeyGMBVIPFNWPCEQI-UHFFFAOYSA-M
XLogP-1.07
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-oxo-1-(sulfinatoamino)oxyethane
CID 57283346
(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
CID 57317567
1-sulfanylidene-1-(sulfinatoamino)oxyethane
CID 123639787
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
magnesium methyl sulfite
CID 88792923
zinc methyl sulfite
CID 88792512
cyano-(sulfinatoamino)methane
CID 58899516
methoxycarbonyl sulfite
CID 123953005
CID 18914755
CID 18914755
CID 174493441
CID 174493441
1-methoxy-1-oxo-3-(sulfinatoamino)propane
CID 91063569
2-methyl-1-oxo-1-(sulfinatoamino)oxypentane
CID 57021720

Frequently Asked Questions

What is the IUPAC name of (sulfinatoamino)oxymethane?
The IUPAC name of (sulfinatoamino)oxymethane (CID 21394688) is (sulfinatoamino)oxymethane.
What is the SMILES notation for (sulfinatoamino)oxymethane?
The canonical SMILES for (sulfinatoamino)oxymethane is CONS(=O)[O-].
What is the InChIKey of (sulfinatoamino)oxymethane?
The InChIKey is GMBVIPFNWPCEQI-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5NO3S/c1-5-2-6(3)4/h2H,1H3,(H,3,4)/p-1.
What are the key properties of (sulfinatoamino)oxymethane?
(sulfinatoamino)oxymethane has a molecular weight of 110.11 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinatoamino)oxymethane is sourced from PubChem (CID 21394688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).