Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine

C7H19NO5S — CID 86076034

IUPACmethanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCOC.CS(=O)(=O)O
InChIInChI=1S/C6H15NO2.CH4O3S/c1-8-5-3-7-4-6-9-2;1-5(2,3)4/h7H,3-6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyMQYOXULGTKGKLL-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.63
Rot. Bonds6

About Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine

Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 86076034) has the molecular formula C7H19NO5S and a molecular weight of 229.30 g/mol. Its IUPAC name is methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameMethanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID86076034
Molecular FormulaC7H19NO5S
Molecular Weight229.30 g/mol
Exact Mass229.10
IUPAC Namemethanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCOC.CS(=O)(=O)O
InChIInChI=1S/C6H15NO2.CH4O3S/c1-8-5-3-7-4-6-9-2;1-5(2,3)4/h7H,3-6H2,1-2H3;1H3,(H,2,3,4)
InChIKeyMQYOXULGTKGKLL-UHFFFAOYSA-N
XLogP-0.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine (CID 86076034) is methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine is COCCNCCOC.CS(=O)(=O)O.
What is the InChIKey of Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is MQYOXULGTKGKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.CH4O3S/c1-8-5-3-7-4-6-9-2;1-5(2,3)4/h7H,3-6H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine?
Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 229.30 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 86076034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).