Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane

C₁₁H₂₆N₂S — CID 143610301

About Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane

Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane (PubChem CID 143610301) has the molecular formula C₁₁H₂₆N₂S and a molecular weight of 218.41 g/mol. Its IUPAC name is ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane.

Molecular Properties

• Compound Name: Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane
• PubChem CID: 143610301
• Molecular Formula: C₁₁H₂₆N₂S
• Molecular Weight: 218.41 g/mol
• Exact Mass: 218.18
• IUPAC Name: ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane
• SMILES: C=C.CS(C)(C)CCN1CCNCC1
• InChI: InChI=1S/C9H22N2S.C2H4/c1-12(2,3)9-8-11-6-4-10-5-7-11;1-2/h10H,4-9H2,1-3H3;1-2H2
• InChIKey: TYRQYLILRJOYIR-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.41
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?

The IUPAC name of Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane (CID 143610301) is ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane.

What is the SMILES notation for Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?

The canonical SMILES for Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane is C=C.CS(C)(C)CCN1CCNCC1.

What is the InChIKey of Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?

The InChIKey is TYRQYLILRJOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S.C2H4/c1-12(2,3)9-8-11-6-4-10-5-7-11;1-2/h10H,4-9H2,1-3H3;1-2H2.

What are the key properties of Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane?

Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane has a molecular weight of 218.41 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethene;trimethyl(2-piperazin-1-ylethyl)-λ4-sulfane is sourced from PubChem (CID 143610301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143610301 — identifiers, structure, computed properties (public domain)

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