1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine

C15H25NO2S — CID 143534401

IUPAC1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine
SMILESCC(C)=C/C(C)=C\C(C)=C(/C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H25NO2S/c1-12(2)10-13(3)11-14(4)15(5)19(17,18)16-8-6-7-9-16/h10-11H,6-9H2,1-5H3/b13-11-,15-14+
InChIKeyPRYJFPDMLHMVHT-UNVBMEDASA-N
MW283.44 g/mol
LogP3.62
Rot. Bonds4

About 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine

1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine (PubChem CID 143534401) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine.

Molecular Properties

Compound Name1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine
PubChem CID143534401
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine
SMILESCC(C)=C/C(C)=C\C(C)=C(/C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H25NO2S/c1-12(2)10-13(3)11-14(4)15(5)19(17,18)16-8-6-7-9-16/h10-11H,6-9H2,1-5H3/b13-11-,15-14+
InChIKeyPRYJFPDMLHMVHT-UNVBMEDASA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine 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-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine?
The IUPAC name of 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine (CID 143534401) is 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine.
What is the SMILES notation for 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine?
The canonical SMILES for 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine is CC(C)=C/C(C)=C\C(C)=C(/C)S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine?
The InChIKey is PRYJFPDMLHMVHT-UNVBMEDASA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)10-13(3)11-14(4)15(5)19(17,18)16-8-6-7-9-16/h10-11H,6-9H2,1-5H3/b13-11-,15-14+.
What are the key properties of 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine?
1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine has a molecular weight of 283.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-3,5,7-trimethylocta-2,4,6-trien-2-yl]sulfonylpyrrolidine is sourced from PubChem (CID 143534401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).