2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane

C8H19N3O3S — CID 123633579

IUPAC2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane
SMILESCS(C)(O)CCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C8H19N3O3S/c1-15(2,12)8-7-14-6-5-13-4-3-10-11-9/h12H,3-8H2,1-2H3
InChIKeyBCUXJDNIAYEGJP-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.87
Rot. Bonds9

About 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane

2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane (PubChem CID 123633579) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane
PubChem CID123633579
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane
SMILESCS(C)(O)CCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C8H19N3O3S/c1-15(2,12)8-7-14-6-5-13-4-3-10-11-9/h12H,3-8H2,1-2H3
InChIKeyBCUXJDNIAYEGJP-UHFFFAOYSA-N
XLogP1.87
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
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'}

Analyze 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane?
The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane (CID 123633579) is 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane.
What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane?
The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane is CS(C)(O)CCOCCOCCN=[N+]=[N-].
What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane?
The InChIKey is BCUXJDNIAYEGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-15(2,12)8-7-14-6-5-13-4-3-10-11-9/h12H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane?
2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane has a molecular weight of 237.32 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azidoethoxy)ethoxy]ethyl-hydroxy-dimethyl-λ4-sulfane is sourced from PubChem (CID 123633579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).