N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine

C15H21NS — CID 166922295

IUPACN-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine
SMILESC=CC(=C/C(=C)CCC)/C=C/CS/C=C\N=C
InChIInChI=1S/C15H21NS/c1-5-8-14(3)13-15(6-2)9-7-11-17-12-10-16-4/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b9-7+,12-10-,15-13-
InChIKeyAMUFPSMRPROCGK-CMCKWWOYSA-N
MW247.41 g/mol
LogP4.92
Rot. Bonds9

About N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine

N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine (PubChem CID 166922295) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine
PubChem CID166922295
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine
SMILESC=CC(=C/C(=C)CCC)/C=C/CS/C=C\N=C
InChIInChI=1S/C15H21NS/c1-5-8-14(3)13-15(6-2)9-7-11-17-12-10-16-4/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b9-7+,12-10-,15-13-
InChIKeyAMUFPSMRPROCGK-CMCKWWOYSA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine (CID 166922295) is N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine is C=CC(=C/C(=C)CCC)/C=C/CS/C=C\N=C.
What is the InChIKey of N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine?
The InChIKey is AMUFPSMRPROCGK-CMCKWWOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-5-8-14(3)13-15(6-2)9-7-11-17-12-10-16-4/h6-7,9-10,12-13H,2-5,8,11H2,1H3/b9-7+,12-10-,15-13-.
What are the key properties of N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine?
N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine has a molecular weight of 247.41 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine is sourced from PubChem (CID 166922295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).