2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate

C6H15NO6S2 — CID 13841

IUPAC2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCNCCOS(C)(=O)=O
InChIInChI=1S/C6H15NO6S2/c1-14(8,9)12-5-3-7-4-6-13-15(2,10)11/h7H,3-6H2,1-2H3
InChIKeyXGJRKCHXLMZIIU-UHFFFAOYSA-N
MW261.32 g/mol
LogP-1.47
Rot. Bonds8

About 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate

2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate (PubChem CID 13841) has the molecular formula C6H15NO6S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate
PubChem CID13841
Molecular FormulaC6H15NO6S2
Molecular Weight261.32 g/mol
Exact Mass261.03
IUPAC Name2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCNCCOS(C)(=O)=O
InChIInChI=1S/C6H15NO6S2/c1-14(8,9)12-5-3-7-4-6-13-15(2,10)11/h7H,3-6H2,1-2H3
InChIKeyXGJRKCHXLMZIIU-UHFFFAOYSA-N
XLogP-1.47
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate?
The IUPAC name of 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate (CID 13841) is 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate?
The canonical SMILES for 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate is CS(=O)(=O)OCCNCCOS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate?
The InChIKey is XGJRKCHXLMZIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6S2/c1-14(8,9)12-5-3-7-4-6-13-15(2,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate?
2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate has a molecular weight of 261.32 g/mol, XLogP of -1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonyloxyethylamino)ethyl methanesulfonate is sourced from PubChem (CID 13841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).