hydron;triethylazanium;sulfate

C6H17NO4S — CID 18786689

IUPAChydron;triethylazanium;sulfate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])[O-].[H+]
InChIInChI=1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyJNONJXMVMJSMTC-UHFFFAOYSA-N
MW199.27 g/mol
LogP-1.29
Rot. Bonds3

About hydron;triethylazanium;sulfate

hydron;triethylazanium;sulfate (PubChem CID 18786689) has the molecular formula C6H17NO4S and a molecular weight of 199.27 g/mol. Its IUPAC name is hydron;triethylazanium;sulfate.

Molecular Properties

Compound Namehydron;triethylazanium;sulfate
PubChem CID18786689
Molecular FormulaC6H17NO4S
Molecular Weight199.27 g/mol
Exact Mass199.09
IUPAC Namehydron;triethylazanium;sulfate
SMILESCC[NH+](CC)CC.O=S(=O)([O-])[O-].[H+]
InChIInChI=1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyJNONJXMVMJSMTC-UHFFFAOYSA-N
XLogP-1.29
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;triethylazanium;sulfate?
The IUPAC name of hydron;triethylazanium;sulfate (CID 18786689) is hydron;triethylazanium;sulfate.
What is the SMILES notation for hydron;triethylazanium;sulfate?
The canonical SMILES for hydron;triethylazanium;sulfate is CC[NH+](CC)CC.O=S(=O)([O-])[O-].[H+].
What is the InChIKey of hydron;triethylazanium;sulfate?
The InChIKey is JNONJXMVMJSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of hydron;triethylazanium;sulfate?
hydron;triethylazanium;sulfate has a molecular weight of 199.27 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;triethylazanium;sulfate is sourced from PubChem (CID 18786689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).