methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C16H37NO10S — CID 23501944

IUPACmethanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCOCCOCCOCCOCCOCCOCCOCCN.CS(=O)(=O)O
InChIInChI=1S/C15H33NO7.CH4O3S/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16;1-5(2,3)4/h2-16H2,1H3;1H3,(H,2,3,4)
InChIKeyVJIUSQPFAAUNTQ-UHFFFAOYSA-N
MW435.54 g/mol
LogP-0.80
Rot. Bonds20

About methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 23501944) has the molecular formula C16H37NO10S and a molecular weight of 435.54 g/mol. Its IUPAC name is methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Namemethanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID23501944
Molecular FormulaC16H37NO10S
Molecular Weight435.54 g/mol
Exact Mass435.21
IUPAC Namemethanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCOCCOCCOCCOCCOCCOCCOCCN.CS(=O)(=O)O
InChIInChI=1S/C15H33NO7.CH4O3S/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16;1-5(2,3)4/h2-16H2,1H3;1H3,(H,2,3,4)
InChIKeyVJIUSQPFAAUNTQ-UHFFFAOYSA-N
XLogP-0.80
TPSA145.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 23501944) is methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is COCCOCCOCCOCCOCCOCCOCCN.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is VJIUSQPFAAUNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO7.CH4O3S/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16;1-5(2,3)4/h2-16H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 435.54 g/mol, XLogP of -0.80, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 23501944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).