(4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine

C10H17NO2S — CID 122552317

IUPAC(4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C/C)S(=O)(=O)CC)CC
InChIInChI=1S/C10H17NO2S/c1-4-9(11)7-8-10(5-2)14(12,13)6-3/h5,7-8,11H,4,6H2,1-3H3/b8-7-,10-5+,11-9+
InChIKeyWLAFEQPEKKRKLV-JGRQPKPISA-N
MW215.32 g/mol
LogP2.31
Rot. Bonds5

About (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine

(4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine (PubChem CID 122552317) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine
PubChem CID122552317
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C/C)S(=O)(=O)CC)CC
InChIInChI=1S/C10H17NO2S/c1-4-9(11)7-8-10(5-2)14(12,13)6-3/h5,7-8,11H,4,6H2,1-3H3/b8-7-,10-5+,11-9+
InChIKeyWLAFEQPEKKRKLV-JGRQPKPISA-N
XLogP2.31
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine?
The IUPAC name of (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine (CID 122552317) is (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine.
What is the SMILES notation for (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine?
The canonical SMILES for (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine is [H]/N=C(/C=C\C(=C/C)S(=O)(=O)CC)CC.
What is the InChIKey of (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine?
The InChIKey is WLAFEQPEKKRKLV-JGRQPKPISA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-9(11)7-8-10(5-2)14(12,13)6-3/h5,7-8,11H,4,6H2,1-3H3/b8-7-,10-5+,11-9+.
What are the key properties of (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine?
(4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine has a molecular weight of 215.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-ethylsulfonylocta-4,6-dien-3-imine is sourced from PubChem (CID 122552317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).