1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine

C15H25NOS — CID 156877731

IUPAC1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine
SMILESC=C/C(=C\C=C(/C)C(C)C)S(=O)N1CCCCC1
InChIInChI=1S/C15H25NOS/c1-5-15(10-9-14(4)13(2)3)18(17)16-11-7-6-8-12-16/h5,9-10,13H,1,6-8,11-12H2,2-4H3/b14-9+,15-10+
InChIKeyQEUWZSGDBQFIAX-AOEKMSOUSA-N
MW267.44 g/mol
LogP3.81
Rot. Bonds5

About 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine

1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine (PubChem CID 156877731) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine.

Molecular Properties

Compound Name1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine
PubChem CID156877731
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine
SMILESC=C/C(=C\C=C(/C)C(C)C)S(=O)N1CCCCC1
InChIInChI=1S/C15H25NOS/c1-5-15(10-9-14(4)13(2)3)18(17)16-11-7-6-8-12-16/h5,9-10,13H,1,6-8,11-12H2,2-4H3/b14-9+,15-10+
InChIKeyQEUWZSGDBQFIAX-AOEKMSOUSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine 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-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine?
The IUPAC name of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine (CID 156877731) is 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine.
What is the SMILES notation for 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine?
The canonical SMILES for 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine is C=C/C(=C\C=C(/C)C(C)C)S(=O)N1CCCCC1.
What is the InChIKey of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine?
The InChIKey is QEUWZSGDBQFIAX-AOEKMSOUSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-15(10-9-14(4)13(2)3)18(17)16-11-7-6-8-12-16/h5,9-10,13H,1,6-8,11-12H2,2-4H3/b14-9+,15-10+.
What are the key properties of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine?
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine has a molecular weight of 267.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine is sourced from PubChem (CID 156877731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).