1-azido-2-(2-methoxyethylsulfinyl)ethane

C5H11N3O2S — CID 61396970

IUPAC1-azido-2-(2-methoxyethylsulfinyl)ethane
SMILESCOCCS(=O)CCN=[N+]=[N-]
InChIInChI=1S/C5H11N3O2S/c1-10-3-5-11(9)4-2-7-8-6/h2-5H2,1H3
InChIKeyGSNJOHKQDVOGQD-UHFFFAOYSA-N
MW177.23 g/mol
LogP0.69
Rot. Bonds6

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

1-azido-2-(2-methoxyethylsulfinyl)ethane (PubChem CID 61396970) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-azido-2-(2-methoxyethylsulfinyl)ethane.

Molecular Properties

Compound Name1-azido-2-(2-methoxyethylsulfinyl)ethane
PubChem CID61396970
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC Name1-azido-2-(2-methoxyethylsulfinyl)ethane
SMILESCOCCS(=O)CCN=[N+]=[N-]
InChIInChI=1S/C5H11N3O2S/c1-10-3-5-11(9)4-2-7-8-6/h2-5H2,1H3
InChIKeyGSNJOHKQDVOGQD-UHFFFAOYSA-N
XLogP0.69
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-methoxyethylsulfinyl)ethane?
The IUPAC name of 1-azido-2-(2-methoxyethylsulfinyl)ethane (CID 61396970) is 1-azido-2-(2-methoxyethylsulfinyl)ethane.
What is the SMILES notation for 1-azido-2-(2-methoxyethylsulfinyl)ethane?
The canonical SMILES for 1-azido-2-(2-methoxyethylsulfinyl)ethane is COCCS(=O)CCN=[N+]=[N-].
What is the InChIKey of 1-azido-2-(2-methoxyethylsulfinyl)ethane?
The InChIKey is GSNJOHKQDVOGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-10-3-5-11(9)4-2-7-8-6/h2-5H2,1H3.
What are the key properties of 1-azido-2-(2-methoxyethylsulfinyl)ethane?
1-azido-2-(2-methoxyethylsulfinyl)ethane has a molecular weight of 177.23 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-(2-methoxyethylsulfinyl)ethane is sourced from PubChem (CID 61396970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).