diethylazanium sulfite

C4H12NO3S- — CID 135001964

IUPACdiethylazanium sulfite
SMILESCC[NH2+]CC.O=S([O-])[O-]
InChIInChI=1S/C4H11N.H2O3S/c1-3-5-4-2;1-4(2)3/h5H,3-4H2,1-2H3;(H2,1,2,3)/p-1
InChIKeyMRSYJIKDSVHIGE-UHFFFAOYSA-M
MW154.21 g/mol
LogP-1.41
Rot. Bonds2

About diethylazanium sulfite

diethylazanium sulfite (PubChem CID 135001964) has the molecular formula C4H12NO3S- and a molecular weight of 154.21 g/mol. Its IUPAC name is diethylazanium sulfite.

Molecular Properties

Compound Namediethylazanium sulfite
PubChem CID135001964
Molecular FormulaC4H12NO3S-
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Namediethylazanium sulfite
SMILESCC[NH2+]CC.O=S([O-])[O-]
InChIInChI=1S/C4H11N.H2O3S/c1-3-5-4-2;1-4(2)3/h5H,3-4H2,1-2H3;(H2,1,2,3)/p-1
InChIKeyMRSYJIKDSVHIGE-UHFFFAOYSA-M
XLogP-1.41
TPSA79.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, N-ethyl-, sulfate (1:?)
CID 168506
Diethylammonium hydrogen sulfate
CID 10910011
Hydron;triethylazanium;sulfate
CID 18786689
Diethyl ammonium methylsulfate
CID 21703196
Diethylammonium sulfamate
CID 134716121
Diethylazanium perchlorate
CID 71435231
Triethylammonium sulphonate
CID 19005111
Triethylazanium sulfate
CID 21902981
N-ethylethanamine;sulfurous acid
CID 13000360
Bis(diethylazanium);sulfite
CID 15797023
hydrogen sulfite;N-methylethanamine
CID 20240479
Hydrogen sulfite;triethylazanium
CID 21903586

Frequently Asked Questions

What is the IUPAC name of diethylazanium sulfite?
The IUPAC name of diethylazanium sulfite (CID 135001964) is diethylazanium sulfite.
What is the SMILES notation for diethylazanium sulfite?
The canonical SMILES for diethylazanium sulfite is CC[NH2+]CC.O=S([O-])[O-].
What is the InChIKey of diethylazanium sulfite?
The InChIKey is MRSYJIKDSVHIGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11N.H2O3S/c1-3-5-4-2;1-4(2)3/h5H,3-4H2,1-2H3;(H2,1,2,3)/p-1.
What are the key properties of diethylazanium sulfite?
diethylazanium sulfite has a molecular weight of 154.21 g/mol, XLogP of -1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium sulfite is sourced from PubChem (CID 135001964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).