2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid

C6H17NO7S — CID 175015105

IUPAC2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid
SMILESCN(OCCO)OCCO.CS(=O)(=O)O
InChIInChI=1S/C5H13NO4.CH4O3S/c1-6(9-4-2-7)10-5-3-8;1-5(2,3)4/h7-8H,2-5H2,1H3;1H3,(H,2,3,4)
InChIKeyOOTSGEDBACDFEU-UHFFFAOYSA-N
MW247.27 g/mol
LogP-1.73
Rot. Bonds6

About 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid

2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid (PubChem CID 175015105) has the molecular formula C6H17NO7S and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid.

Molecular Properties

Compound Name2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid
PubChem CID175015105
Molecular FormulaC6H17NO7S
Molecular Weight247.27 g/mol
Exact Mass247.07
IUPAC Name2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid
SMILESCN(OCCO)OCCO.CS(=O)(=O)O
InChIInChI=1S/C5H13NO4.CH4O3S/c1-6(9-4-2-7)10-5-3-8;1-5(2,3)4/h7-8H,2-5H2,1H3;1H3,(H,2,3,4)
InChIKeyOOTSGEDBACDFEU-UHFFFAOYSA-N
XLogP-1.73
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethoxy(methyl)amino]oxyethanol;hydrofluoride
CID 173050654
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
2-[ethyl(2-hydroxyethoxy)amino]oxyethanol;2-[2-hydroxyethoxy(methyl)amino]oxyethanol
CID 87918272
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide
CID 174799065
2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid
CID 88674774
2-(3-iodoprop-2-ynoxy)ethanol;methanesulfonic acid
CID 71325119
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
N,N-diethoxymethanamine;methyl hydrogen sulfate
CID 173043351
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dodecane;ethene;sulfuric acid;hydrate
CID 174843406
methanesulfonic acid;2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethanol
CID 71342368
ethane-1,2-diamine;methanesulfonic acid
CID 161046577

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid?
The IUPAC name of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid (CID 175015105) is 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid.
What is the SMILES notation for 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid?
The canonical SMILES for 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid is CN(OCCO)OCCO.CS(=O)(=O)O.
What is the InChIKey of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid?
The InChIKey is OOTSGEDBACDFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4.CH4O3S/c1-6(9-4-2-7)10-5-3-8;1-5(2,3)4/h7-8H,2-5H2,1H3;1H3,(H,2,3,4).
What are the key properties of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid?
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid has a molecular weight of 247.27 g/mol, XLogP of -1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid is sourced from PubChem (CID 175015105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).