1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine

C14H23NO2S — CID 143174237

IUPAC1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine
SMILESC/C=C\C(=C/C(C)=C\C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H23NO2S/c1-4-9-14(12-13(3)5-2)18(16,17)15-10-7-6-8-11-15/h4-5,9,12H,6-8,10-11H2,1-3H3/b9-4-,13-5-,14-12+
InChIKeyQDRIBFWCOCQULE-MRSSKMKVSA-N
MW269.41 g/mol
LogP3.23
Rot. Bonds4

About 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine

1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine (PubChem CID 143174237) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine
PubChem CID143174237
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine
SMILESC/C=C\C(=C/C(C)=C\C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H23NO2S/c1-4-9-14(12-13(3)5-2)18(16,17)15-10-7-6-8-11-15/h4-5,9,12H,6-8,10-11H2,1-3H3/b9-4-,13-5-,14-12+
InChIKeyQDRIBFWCOCQULE-MRSSKMKVSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine 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 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine?
The IUPAC name of 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine (CID 143174237) is 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine?
The canonical SMILES for 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine is C/C=C\C(=C/C(C)=C\C)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine?
The InChIKey is QDRIBFWCOCQULE-MRSSKMKVSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-9-14(12-13(3)5-2)18(16,17)15-10-7-6-8-11-15/h4-5,9,12H,6-8,10-11H2,1-3H3/b9-4-,13-5-,14-12+.
What are the key properties of 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine?
1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine has a molecular weight of 269.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine is sourced from PubChem (CID 143174237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).