Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine

C₁₃H₂₅NO₂S — CID 143346666

About Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine

Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine (PubChem CID 143346666) has the molecular formula C₁₃H₂₅NO₂S and a molecular weight of 259.41 g/mol. Its IUPAC name is ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine.

Molecular Properties

• Compound Name: Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
• PubChem CID: 143346666
• Molecular Formula: C₁₃H₂₅NO₂S
• Molecular Weight: 259.41 g/mol
• Exact Mass: 259.16
• IUPAC Name: ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
• SMILES: C=C/C(=C(\C=C/CC)CNC)S(C)(=O)=O.CC
• InChI: InChI=1S/C11H19NO2S.C2H6/c1-5-7-8-10(9-12-3)11(6-2)15(4,13)14;1-2/h6-8,12H,2,5,9H2,1,3-4H3;1-2H3/b8-7-,11-10-
• InChIKey: IIZVEEAXWOSGSA-VRQRTIRHSA-N
• XLogP: 2.68
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.41
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?

The IUPAC name of Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine (CID 143346666) is ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine.

What is the SMILES notation for Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?

The canonical SMILES for Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine is C=C/C(=C(\C=C/CC)CNC)S(C)(=O)=O.CC.

What is the InChIKey of Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?

The InChIKey is IIZVEEAXWOSGSA-VRQRTIRHSA-N. The full InChI is InChI=1S/C11H19NO2S.C2H6/c1-5-7-8-10(9-12-3)11(6-2)15(4,13)14;1-2/h6-8,12H,2,5,9H2,1,3-4H3;1-2H3/b8-7-,11-10-;.

What are the key properties of Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?

Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine is sourced from PubChem (CID 143346666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143346666 — identifiers, structure, computed properties (public domain)

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