1-oxo-1-(sulfinatoamino)oxyethane

C2H4NO4S- — CID 57283346

IUPAC1-oxo-1-(sulfinatoamino)oxyethane
SMILESCC(=O)ONS(=O)[O-]
InChIInChI=1S/C2H5NO4S/c1-2(4)7-3-8(5)6/h3H,1H3,(H,5,6)/p-1
InChIKeyCNCPCNVLJLTOBU-UHFFFAOYSA-M
MW138.12 g/mol
LogP-1.15
Rot. Bonds2

About 1-oxo-1-(sulfinatoamino)oxyethane

1-oxo-1-(sulfinatoamino)oxyethane (PubChem CID 57283346) has the molecular formula C2H4NO4S- and a molecular weight of 138.12 g/mol. Its IUPAC name is 1-oxo-1-(sulfinatoamino)oxyethane.

Molecular Properties

Compound Name1-oxo-1-(sulfinatoamino)oxyethane
PubChem CID57283346
Molecular FormulaC2H4NO4S-
Molecular Weight138.12 g/mol
Exact Mass137.99
IUPAC Name1-oxo-1-(sulfinatoamino)oxyethane
SMILESCC(=O)ONS(=O)[O-]
InChIInChI=1S/C2H5NO4S/c1-2(4)7-3-8(5)6/h3H,1H3,(H,5,6)/p-1
InChIKeyCNCPCNVLJLTOBU-UHFFFAOYSA-M
XLogP-1.15
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-sulfanylidene-1-(sulfinatoamino)oxyethane
CID 123639787
(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
CID 57317567
(sulfinatoamino)oxymethane
CID 21394688
2-methyl-1-oxo-1-(sulfinatoamino)oxypentane
CID 57021720
2-(sulfinatoamino)oxycarbonylhex-1-ene
CID 174362559
potassium acetyl sulfite
CID 174450467
sodium;propan-2-one;sulfite
CID 22596868
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
methoxycarbonyl sulfite
CID 123953005
methyl acetate;ruthenium
CID 160799101
hydrazinyl acetate;hydrochloride
CID 172840590
hydrazinyl acetate;dihydrochloride
CID 118876353

Frequently Asked Questions

What is the IUPAC name of 1-oxo-1-(sulfinatoamino)oxyethane?
The IUPAC name of 1-oxo-1-(sulfinatoamino)oxyethane (CID 57283346) is 1-oxo-1-(sulfinatoamino)oxyethane.
What is the SMILES notation for 1-oxo-1-(sulfinatoamino)oxyethane?
The canonical SMILES for 1-oxo-1-(sulfinatoamino)oxyethane is CC(=O)ONS(=O)[O-].
What is the InChIKey of 1-oxo-1-(sulfinatoamino)oxyethane?
The InChIKey is CNCPCNVLJLTOBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO4S/c1-2(4)7-3-8(5)6/h3H,1H3,(H,5,6)/p-1.
What are the key properties of 1-oxo-1-(sulfinatoamino)oxyethane?
1-oxo-1-(sulfinatoamino)oxyethane has a molecular weight of 138.12 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1-(sulfinatoamino)oxyethane is sourced from PubChem (CID 57283346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).