4-but-3-en-2-yl-2-ethylthiomorpholine

C₁₀H₁₉NS — CID 130944351

About 4-but-3-en-2-yl-2-ethylthiomorpholine

4-but-3-en-2-yl-2-ethylthiomorpholine (PubChem CID 130944351) has the molecular formula C₁₀H₁₉NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-but-3-en-2-yl-2-ethylthiomorpholine.

Molecular Properties

• Compound Name: 4-but-3-en-2-yl-2-ethylthiomorpholine
• PubChem CID: 130944351
• Molecular Formula: C₁₀H₁₉NS
• Molecular Weight: 185.34 g/mol
• Exact Mass: 185.12
• IUPAC Name: 4-but-3-en-2-yl-2-ethylthiomorpholine
• SMILES: C=CC(C)N1CCSC(CC)C1
• InChI: InChI=1S/C10H19NS/c1-4-9(3)11-6-7-12-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3
• InChIKey: JLAZBMULMXDGLY-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	185.34
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
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 4-but-3-en-2-yl-2-ethylthiomorpholine?

The IUPAC name of 4-but-3-en-2-yl-2-ethylthiomorpholine (CID 130944351) is 4-but-3-en-2-yl-2-ethylthiomorpholine.

What is the SMILES notation for 4-but-3-en-2-yl-2-ethylthiomorpholine?

The canonical SMILES for 4-but-3-en-2-yl-2-ethylthiomorpholine is C=CC(C)N1CCSC(CC)C1.

What is the InChIKey of 4-but-3-en-2-yl-2-ethylthiomorpholine?

The InChIKey is JLAZBMULMXDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9(3)11-6-7-12-10(5-2)8-11/h4,9-10H,1,5-8H2,2-3H3.

What are the key properties of 4-but-3-en-2-yl-2-ethylthiomorpholine?

4-but-3-en-2-yl-2-ethylthiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-but-3-en-2-yl-2-ethylthiomorpholine is sourced from PubChem (CID 130944351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130944351 — identifiers, structure, computed properties (public domain)

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