2-hydroxyethyl(dimethyl)azanium;methanesulfonate

C5H15NO4S — CID 87203729

IUPAC2-hydroxyethyl(dimethyl)azanium;methanesulfonate
SMILESCS(=O)(=O)[O-].C[NH+](C)CCO
InChIInChI=1S/C4H11NO.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWJFJMHLLYKNTRN-UHFFFAOYSA-N
MW185.24 g/mol
LogP-2.72
Rot. Bonds2

About 2-hydroxyethyl(dimethyl)azanium;methanesulfonate

2-hydroxyethyl(dimethyl)azanium;methanesulfonate (PubChem CID 87203729) has the molecular formula C5H15NO4S and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-hydroxyethyl(dimethyl)azanium;methanesulfonate.

Molecular Properties

Compound Name2-hydroxyethyl(dimethyl)azanium;methanesulfonate
PubChem CID87203729
Molecular FormulaC5H15NO4S
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC Name2-hydroxyethyl(dimethyl)azanium;methanesulfonate
SMILESCS(=O)(=O)[O-].C[NH+](C)CCO
InChIInChI=1S/C4H11NO.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWJFJMHLLYKNTRN-UHFFFAOYSA-N
XLogP-2.72
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 5-2.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(dimethyl)azanium;methanesulfonate?
The IUPAC name of 2-hydroxyethyl(dimethyl)azanium;methanesulfonate (CID 87203729) is 2-hydroxyethyl(dimethyl)azanium;methanesulfonate.
What is the SMILES notation for 2-hydroxyethyl(dimethyl)azanium;methanesulfonate?
The canonical SMILES for 2-hydroxyethyl(dimethyl)azanium;methanesulfonate is CS(=O)(=O)[O-].C[NH+](C)CCO.
What is the InChIKey of 2-hydroxyethyl(dimethyl)azanium;methanesulfonate?
The InChIKey is WJFJMHLLYKNTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 2-hydroxyethyl(dimethyl)azanium;methanesulfonate?
2-hydroxyethyl(dimethyl)azanium;methanesulfonate has a molecular weight of 185.24 g/mol, XLogP of -2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(dimethyl)azanium;methanesulfonate is sourced from PubChem (CID 87203729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).