2-(2-azidohexoxymethyl)thiophene

C11H17N3OS — CID 54406472

IUPAC2-(2-azidohexoxymethyl)thiophene
SMILESCCCCC(COCc1cccs1)N=[N+]=[N-]
InChIInChI=1S/C11H17N3OS/c1-2-3-5-10(13-14-12)8-15-9-11-6-4-7-16-11/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyVRAYAVFUABGXPS-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.13
Rot. Bonds8

About 2-(2-azidohexoxymethyl)thiophene

2-(2-azidohexoxymethyl)thiophene (PubChem CID 54406472) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-azidohexoxymethyl)thiophene.

Molecular Properties

Compound Name2-(2-azidohexoxymethyl)thiophene
PubChem CID54406472
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(2-azidohexoxymethyl)thiophene
SMILESCCCCC(COCc1cccs1)N=[N+]=[N-]
InChIInChI=1S/C11H17N3OS/c1-2-3-5-10(13-14-12)8-15-9-11-6-4-7-16-11/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyVRAYAVFUABGXPS-UHFFFAOYSA-N
XLogP4.13
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.13
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 2-(2-azidohexoxymethyl)thiophene?
The IUPAC name of 2-(2-azidohexoxymethyl)thiophene (CID 54406472) is 2-(2-azidohexoxymethyl)thiophene.
What is the SMILES notation for 2-(2-azidohexoxymethyl)thiophene?
The canonical SMILES for 2-(2-azidohexoxymethyl)thiophene is CCCCC(COCc1cccs1)N=[N+]=[N-].
What is the InChIKey of 2-(2-azidohexoxymethyl)thiophene?
The InChIKey is VRAYAVFUABGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-3-5-10(13-14-12)8-15-9-11-6-4-7-16-11/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 2-(2-azidohexoxymethyl)thiophene?
2-(2-azidohexoxymethyl)thiophene has a molecular weight of 239.34 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidohexoxymethyl)thiophene is sourced from PubChem (CID 54406472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).