2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate

C7H15N3O5S — CID 11265269

IUPAC2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3O5S/c1-16(11,12)15-7-6-14-5-4-13-3-2-9-10-8/h2-7H2,1H3
InChIKeyZOOKULHFCBIPIO-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.31
Rot. Bonds10

About 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate

2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate (PubChem CID 11265269) has the molecular formula C7H15N3O5S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
PubChem CID11265269
Molecular FormulaC7H15N3O5S
Molecular Weight253.28 g/mol
Exact Mass253.07
IUPAC Name2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H15N3O5S/c1-16(11,12)15-7-6-14-5-4-13-3-2-9-10-8/h2-7H2,1H3
InChIKeyZOOKULHFCBIPIO-UHFFFAOYSA-N
XLogP0.31
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate (CID 11265269) is 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate?
The InChIKey is ZOOKULHFCBIPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O5S/c1-16(11,12)15-7-6-14-5-4-13-3-2-9-10-8/h2-7H2,1H3.
What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate?
2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate has a molecular weight of 253.28 g/mol, XLogP of 0.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 11265269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).