5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide

C11H14N4O2S — CID 134163076

IUPAC5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C11H14N4O2S/c12-15-13-7-9-1-2-10(18-9)11(16)14-8-3-5-17-6-4-8/h1-2,8H,3-7H2,(H,14,16)
InChIKeyZZYRUJZYZWSCGT-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.47
Rot. Bonds4

About 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide

5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide (PubChem CID 134163076) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide
PubChem CID134163076
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C11H14N4O2S/c12-15-13-7-9-1-2-10(18-9)11(16)14-8-3-5-17-6-4-8/h1-2,8H,3-7H2,(H,14,16)
InChIKeyZZYRUJZYZWSCGT-UHFFFAOYSA-N
XLogP2.47
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide (CID 134163076) is 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide is [N-]=[N+]=NCc1ccc(C(=O)NC2CCOCC2)s1.
What is the InChIKey of 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide?
The InChIKey is ZZYRUJZYZWSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-15-13-7-9-1-2-10(18-9)11(16)14-8-3-5-17-6-4-8/h1-2,8H,3-7H2,(H,14,16).
What are the key properties of 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide?
5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 134163076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).