imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane

C15H19NOS — CID 10879874

IUPACimino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane
SMILES[H]N=S(=O)(/C=C/CCC/C=C/C=C)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-2-3-4-5-6-7-11-14-18(16,17)15-12-9-8-10-13-15/h2-4,8-14,16H,1,5-7H2/b4-3+,14-11+
InChIKeyQDKFHSJZHGYHER-OWYQYGRNSA-N
MW261.39 g/mol
LogP4.52
Rot. Bonds7

About imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane

imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane (PubChem CID 10879874) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane.

Molecular Properties

Compound Nameimino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane
PubChem CID10879874
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Nameimino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane
SMILES[H]N=S(=O)(/C=C/CCC/C=C/C=C)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-2-3-4-5-6-7-11-14-18(16,17)15-12-9-8-10-13-15/h2-4,8-14,16H,1,5-7H2/b4-3+,14-11+
InChIKeyQDKFHSJZHGYHER-OWYQYGRNSA-N
XLogP4.52
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-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 imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane?
The IUPAC name of imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane (CID 10879874) is imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane.
What is the SMILES notation for imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane?
The canonical SMILES for imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane is [H]N=S(=O)(/C=C/CCC/C=C/C=C)c1ccccc1.
What is the InChIKey of imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane?
The InChIKey is QDKFHSJZHGYHER-OWYQYGRNSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-3-4-5-6-7-11-14-18(16,17)15-12-9-8-10-13-15/h2-4,8-14,16H,1,5-7H2/b4-3+,14-11+.
What are the key properties of imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane?
imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane has a molecular weight of 261.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane is sourced from PubChem (CID 10879874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).