(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide

C15H27NOS — CID 143834867

IUPAC(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide
SMILESC/C=C/C=C\CCC(CC(=O)NCC(C)C)SC
InChIInChI=1S/C15H27NOS/c1-5-6-7-8-9-10-14(18-4)11-15(17)16-12-13(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,16,17)/b6-5+,8-7-
InChIKeyVVPUNRIFATYVDP-MDAAKZFYSA-N
MW269.45 g/mol
LogP3.79
Rot. Bonds9

About (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide

(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide (PubChem CID 143834867) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide.

Molecular Properties

Compound Name(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide
PubChem CID143834867
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide
SMILESC/C=C/C=C\CCC(CC(=O)NCC(C)C)SC
InChIInChI=1S/C15H27NOS/c1-5-6-7-8-9-10-14(18-4)11-15(17)16-12-13(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,16,17)/b6-5+,8-7-
InChIKeyVVPUNRIFATYVDP-MDAAKZFYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide?
The IUPAC name of (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide (CID 143834867) is (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide.
What is the SMILES notation for (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide?
The canonical SMILES for (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide is C/C=C/C=C\CCC(CC(=O)NCC(C)C)SC.
What is the InChIKey of (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide?
The InChIKey is VVPUNRIFATYVDP-MDAAKZFYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-5-6-7-8-9-10-14(18-4)11-15(17)16-12-13(2)3/h5-8,13-14H,9-12H2,1-4H3,(H,16,17)/b6-5+,8-7-.
What are the key properties of (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide?
(6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide has a molecular weight of 269.45 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-N-(2-methylpropyl)-3-methylsulfanyldeca-6,8-dienamide is sourced from PubChem (CID 143834867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).