ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane

C17H19NOS — CID 102292168

IUPACethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane
SMILESC=CS(=O)(=NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-20(19,17-13-7-4-8-14-17)18-15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14H,1,9,12,15H2
InChIKeyAALVNOJEGRUCRR-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.29
Rot. Bonds6

About ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane

ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane (PubChem CID 102292168) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane.

Molecular Properties

Compound Nameethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane
PubChem CID102292168
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Nameethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane
SMILESC=CS(=O)(=NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-20(19,17-13-7-4-8-14-17)18-15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14H,1,9,12,15H2
InChIKeyAALVNOJEGRUCRR-UHFFFAOYSA-N
XLogP4.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane?
The IUPAC name of ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane (CID 102292168) is ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane.
What is the SMILES notation for ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane?
The canonical SMILES for ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane is C=CS(=O)(=NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane?
The InChIKey is AALVNOJEGRUCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-20(19,17-13-7-4-8-14-17)18-15-9-12-16-10-5-3-6-11-16/h2-8,10-11,13-14H,1,9,12,15H2.
What are the key properties of ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane?
ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane has a molecular weight of 285.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-oxo-phenyl-(3-phenylpropylimino)-λ6-sulfane is sourced from PubChem (CID 102292168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).