bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid

C7H20NO5S+ — CID 57483590

IUPACbis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid
SMILESCS(=O)(=O)O.C[N+](C)(CCO)CCO
InChIInChI=1S/C6H16NO2.CH4O3S/c1-7(2,3-5-8)4-6-9;1-5(2,3)4/h8-9H,3-6H2,1-2H3;1H3,(H,2,3,4)/q+1;
InChIKeyCEJIWXVUZANIEO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.45
Rot. Bonds4

About bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid

bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid (PubChem CID 57483590) has the molecular formula C7H20NO5S+ and a molecular weight of 230.31 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid
PubChem CID57483590
Molecular FormulaC7H20NO5S+
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Namebis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid
SMILESCS(=O)(=O)O.C[N+](C)(CCO)CCO
InChIInChI=1S/C6H16NO2.CH4O3S/c1-7(2,3-5-8)4-6-9;1-5(2,3)4/h8-9H,3-6H2,1-2H3;1H3,(H,2,3,4)/q+1;
InChIKeyCEJIWXVUZANIEO-UHFFFAOYSA-N
XLogP-1.45
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid?
The IUPAC name of bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid (CID 57483590) is bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid.
What is the SMILES notation for bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid?
The canonical SMILES for bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid is CS(=O)(=O)O.C[N+](C)(CCO)CCO.
What is the InChIKey of bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid?
The InChIKey is CEJIWXVUZANIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2.CH4O3S/c1-7(2,3-5-8)4-6-9;1-5(2,3)4/h8-9H,3-6H2,1-2H3;1H3,(H,2,3,4)/q+1;.
What are the key properties of bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid?
bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid has a molecular weight of 230.31 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-dimethylazanium;methanesulfonic acid is sourced from PubChem (CID 57483590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).