1-azido-2-(2-ethylsulfonylethoxy)ethane

C6H13N3O3S — CID 151954355

IUPAC1-azido-2-(2-ethylsulfonylethoxy)ethane
SMILESCCS(=O)(=O)CCOCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3O3S/c1-2-13(10,11)6-5-12-4-3-8-9-7/h2-6H2,1H3
InChIKeyTXIAHJHNANMMME-UHFFFAOYSA-N
MW207.25 g/mol
LogP0.75
Rot. Bonds7

About 1-azido-2-(2-ethylsulfonylethoxy)ethane

1-azido-2-(2-ethylsulfonylethoxy)ethane (PubChem CID 151954355) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-azido-2-(2-ethylsulfonylethoxy)ethane.

Molecular Properties

Compound Name1-azido-2-(2-ethylsulfonylethoxy)ethane
PubChem CID151954355
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Name1-azido-2-(2-ethylsulfonylethoxy)ethane
SMILESCCS(=O)(=O)CCOCCN=[N+]=[N-]
InChIInChI=1S/C6H13N3O3S/c1-2-13(10,11)6-5-12-4-3-8-9-7/h2-6H2,1H3
InChIKeyTXIAHJHNANMMME-UHFFFAOYSA-N
XLogP0.75
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-azido-2-(2-ethylsulfonylethoxy)ethane?
The IUPAC name of 1-azido-2-(2-ethylsulfonylethoxy)ethane (CID 151954355) is 1-azido-2-(2-ethylsulfonylethoxy)ethane.
What is the SMILES notation for 1-azido-2-(2-ethylsulfonylethoxy)ethane?
The canonical SMILES for 1-azido-2-(2-ethylsulfonylethoxy)ethane is CCS(=O)(=O)CCOCCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-(2-ethylsulfonylethoxy)ethane?
The InChIKey is TXIAHJHNANMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-2-13(10,11)6-5-12-4-3-8-9-7/h2-6H2,1H3.
What are the key properties of 1-azido-2-(2-ethylsulfonylethoxy)ethane?
1-azido-2-(2-ethylsulfonylethoxy)ethane has a molecular weight of 207.25 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-ethylsulfonylethoxy)ethane is sourced from PubChem (CID 151954355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).