methoxy(trimethyl)azanium;sulfuric acid

C4H14NO5S+ — CID 174771365

IUPACmethoxy(trimethyl)azanium;sulfuric acid
SMILESCO[N+](C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H12NO.H2O4S/c1-5(2,3)6-4;1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;
InChIKeyMFGSHHBWRDPYDB-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.40
Rot. Bonds1

About methoxy(trimethyl)azanium;sulfuric acid

methoxy(trimethyl)azanium;sulfuric acid (PubChem CID 174771365) has the molecular formula C4H14NO5S+ and a molecular weight of 188.22 g/mol. Its IUPAC name is methoxy(trimethyl)azanium;sulfuric acid.

Molecular Properties

Compound Namemethoxy(trimethyl)azanium;sulfuric acid
PubChem CID174771365
Molecular FormulaC4H14NO5S+
Molecular Weight188.22 g/mol
Exact Mass188.06
IUPAC Namemethoxy(trimethyl)azanium;sulfuric acid
SMILESCO[N+](C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H12NO.H2O4S/c1-5(2,3)6-4;1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;
InChIKeyMFGSHHBWRDPYDB-UHFFFAOYSA-N
XLogP-0.40
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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copper;methyl hydrogen sulfate
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methyl hydrogen sulfate;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of methoxy(trimethyl)azanium;sulfuric acid?
The IUPAC name of methoxy(trimethyl)azanium;sulfuric acid (CID 174771365) is methoxy(trimethyl)azanium;sulfuric acid.
What is the SMILES notation for methoxy(trimethyl)azanium;sulfuric acid?
The canonical SMILES for methoxy(trimethyl)azanium;sulfuric acid is CO[N+](C)(C)C.O=S(=O)(O)O.
What is the InChIKey of methoxy(trimethyl)azanium;sulfuric acid?
The InChIKey is MFGSHHBWRDPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO.H2O4S/c1-5(2,3)6-4;1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;.
What are the key properties of methoxy(trimethyl)azanium;sulfuric acid?
methoxy(trimethyl)azanium;sulfuric acid has a molecular weight of 188.22 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(trimethyl)azanium;sulfuric acid is sourced from PubChem (CID 174771365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).