5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide

C11H16N4OS — CID 134163007

IUPAC5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(CN=[N+]=[N-])s1
InChIInChI=1S/C11H16N4OS/c1-3-4-7-15(2)11(16)10-6-5-9(17-10)8-13-14-12/h5-6H,3-4,7-8H2,1-2H3
InChIKeyWJFZSGBZZXFNPW-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.43
Rot. Bonds6

About 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide

5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide (PubChem CID 134163007) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide
PubChem CID134163007
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(CN=[N+]=[N-])s1
InChIInChI=1S/C11H16N4OS/c1-3-4-7-15(2)11(16)10-6-5-9(17-10)8-13-14-12/h5-6H,3-4,7-8H2,1-2H3
InChIKeyWJFZSGBZZXFNPW-UHFFFAOYSA-N
XLogP3.43
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.43
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 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide (CID 134163007) is 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide is CCCCN(C)C(=O)c1ccc(CN=[N+]=[N-])s1.
What is the InChIKey of 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide?
The InChIKey is WJFZSGBZZXFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-4-7-15(2)11(16)10-6-5-9(17-10)8-13-14-12/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide?
5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-butyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 134163007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).