1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane

C19H35NOS — CID 156877730

IUPAC1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane
SMILESC=C/C(=C\C=C(/C)C(C)C)S(=O)N1CCCCC1.CC(C)C
InChIInChI=1S/C15H25NOS.C4H10/c1-5-15(10-9-14(4)13(2)3)18(17)16-11-7-6-8-12-16;1-4(2)3/h5,9-10,13H,1,6-8,11-12H2,2-4H3;4H,1-3H3/b14-9+,15-10+;
InChIKeyWDYPXOFTEUVODJ-ZDDKITRRSA-N
MW325.56 g/mol
LogP5.47
Rot. Bonds5

About 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane

1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane (PubChem CID 156877730) has the molecular formula C19H35NOS and a molecular weight of 325.56 g/mol. Its IUPAC name is 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane.

Molecular Properties

Compound Name1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane
PubChem CID156877730
Molecular FormulaC19H35NOS
Molecular Weight325.56 g/mol
Exact Mass325.24
IUPAC Name1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane
SMILESC=C/C(=C\C=C(/C)C(C)C)S(=O)N1CCCCC1.CC(C)C
InChIInChI=1S/C15H25NOS.C4H10/c1-5-15(10-9-14(4)13(2)3)18(17)16-11-7-6-8-12-16;1-4(2)3/h5,9-10,13H,1,6-8,11-12H2,2-4H3;4H,1-3H3/b14-9+,15-10+;
InChIKeyWDYPXOFTEUVODJ-ZDDKITRRSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.56
LogP ≤ 55.47
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;2-methylpropane with MolForge

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Related Compounds

1-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)sulfonylpiperidine
CID 153535127
4-Ethyl-1-[(3-methylcyclopenta-1,4-dien-1-yl)methylsulfonyl]piperidine
CID 155469772
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinyl-4-pyrrolidin-1-ylpiperidine;2-methylpropane
CID 156877769
N,N-dimethyl-1-[(3E,5Z)-6-propan-2-ylocta-3,5,7-trien-3-yl]sulfinylpiperidin-4-amine;2-methylpropane
CID 156877835
2-methylpropane;1-(2-methylpropyl)-4-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperazine
CID 156877903
N,N-diethyl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]sulfinylpiperidin-4-amine;ethane
CID 156877957
1-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]sulfonylpiperidine
CID 141900812
1-[(2Z,4E,6Z)-6-methylocta-2,4,6-trien-4-yl]sulfonylpiperidine
CID 143174237
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine
CID 156877731
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinyl-4-pyrrolidin-1-ylpiperidine
CID 156877770
N,N-dimethyl-1-[(3E,5Z)-6-propan-2-ylocta-3,5,7-trien-3-yl]sulfinylpiperidin-4-amine
CID 156877836
1-(2-methylpropyl)-4-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperazine
CID 156877904

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane?
The IUPAC name of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane (CID 156877730) is 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane.
What is the SMILES notation for 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane?
The canonical SMILES for 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane is C=C/C(=C\C=C(/C)C(C)C)S(=O)N1CCCCC1.CC(C)C.
What is the InChIKey of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane?
The InChIKey is WDYPXOFTEUVODJ-ZDDKITRRSA-N. The full InChI is InChI=1S/C15H25NOS.C4H10/c1-5-15(10-9-14(4)13(2)3)18(17)16-11-7-6-8-12-16;1-4(2)3/h5,9-10,13H,1,6-8,11-12H2,2-4H3;4H,1-3H3/b14-9+,15-10+;.
What are the key properties of 1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane?
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane has a molecular weight of 325.56 g/mol, XLogP of 5.47, 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;2-methylpropane is sourced from PubChem (CID 156877730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).