methoxy-oxo-(sulfinatoamino)methane

C2H4NO4S- — CID 57095260

IUPACmethoxy-oxo-(sulfinatoamino)methane
SMILESCOC(=O)NS(=O)[O-]
InChIInChI=1S/C2H5NO4S/c1-7-2(4)3-8(5)6/h1H3,(H,3,4)(H,5,6)/p-1
InChIKeyTZVIYNWCCHMKGH-UHFFFAOYSA-M
MW138.12 g/mol
LogP-0.86
Rot. Bonds1

About methoxy-oxo-(sulfinatoamino)methane

methoxy-oxo-(sulfinatoamino)methane (PubChem CID 57095260) has the molecular formula C2H4NO4S- and a molecular weight of 138.12 g/mol. Its IUPAC name is methoxy-oxo-(sulfinatoamino)methane.

Molecular Properties

Compound Namemethoxy-oxo-(sulfinatoamino)methane
PubChem CID57095260
Molecular FormulaC2H4NO4S-
Molecular Weight138.12 g/mol
Exact Mass137.99
IUPAC Namemethoxy-oxo-(sulfinatoamino)methane
SMILESCOC(=O)NS(=O)[O-]
InChIInChI=1S/C2H5NO4S/c1-7-2(4)3-8(5)6/h1H3,(H,3,4)(H,5,6)/p-1
InChIKeyTZVIYNWCCHMKGH-UHFFFAOYSA-M
XLogP-0.86
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-chlorosulfinylcarbamate
CID 20563467
1-chloro-1-(sulfinatocarbamoyloxy)cyclopropane
CID 89156369
sodium;propan-2-one;sulfite
CID 22596868
methoxycarbonyl sulfite
CID 123953005
(sulfinatoamino)oxymethane
CID 21394688
1-hydroxy-1,3-dioxo-3-(sulfinatoamino)propane
CID 131975255
methyl N-sulfinooxycarbamate
CID 57298047
1,1,1-trifluoro-2-oxo-2-(sulfinatoamino)ethane
CID 57062778
azane;methyl N-nitrocarbamate
CID 12859349
1-oxo-1-(sulfinatoamino)oxyethane
CID 57283346
[methyl(sulfinatocarbamoyl)amino]ethane
CID 163554716
(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
CID 57317567

Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(sulfinatoamino)methane?
The IUPAC name of methoxy-oxo-(sulfinatoamino)methane (CID 57095260) is methoxy-oxo-(sulfinatoamino)methane.
What is the SMILES notation for methoxy-oxo-(sulfinatoamino)methane?
The canonical SMILES for methoxy-oxo-(sulfinatoamino)methane is COC(=O)NS(=O)[O-].
What is the InChIKey of methoxy-oxo-(sulfinatoamino)methane?
The InChIKey is TZVIYNWCCHMKGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO4S/c1-7-2(4)3-8(5)6/h1H3,(H,3,4)(H,5,6)/p-1.
What are the key properties of methoxy-oxo-(sulfinatoamino)methane?
methoxy-oxo-(sulfinatoamino)methane has a molecular weight of 138.12 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(sulfinatoamino)methane is sourced from PubChem (CID 57095260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).