triethylazanium sulfite

C6H16NO3S- — CID 19005111

IUPACtriethylazanium sulfite
SMILESCC[NH+](CC)CC.O=S([O-])[O-]
InChIInChI=1S/C6H15N.H2O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;(H2,1,2,3)/p-1
InChIKeyWUVDDRXOROOPOZ-UHFFFAOYSA-M
MW182.26 g/mol
LogP-1.07
Rot. Bonds3

About triethylazanium sulfite

triethylazanium sulfite (PubChem CID 19005111) has the molecular formula C6H16NO3S- and a molecular weight of 182.26 g/mol. Its IUPAC name is triethylazanium sulfite.

Molecular Properties

Compound Nametriethylazanium sulfite
PubChem CID19005111
Molecular FormulaC6H16NO3S-
Molecular Weight182.26 g/mol
Exact Mass182.09
IUPAC Nametriethylazanium sulfite
SMILESCC[NH+](CC)CC.O=S([O-])[O-]
InChIInChI=1S/C6H15N.H2O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;(H2,1,2,3)/p-1
InChIKeyWUVDDRXOROOPOZ-UHFFFAOYSA-M
XLogP-1.07
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylazanium sulfite?
The IUPAC name of triethylazanium sulfite (CID 19005111) is triethylazanium sulfite.
What is the SMILES notation for triethylazanium sulfite?
The canonical SMILES for triethylazanium sulfite is CC[NH+](CC)CC.O=S([O-])[O-].
What is the InChIKey of triethylazanium sulfite?
The InChIKey is WUVDDRXOROOPOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.H2O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;(H2,1,2,3)/p-1.
What are the key properties of triethylazanium sulfite?
triethylazanium sulfite has a molecular weight of 182.26 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium sulfite is sourced from PubChem (CID 19005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).