(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine

C₁₄H₁₉NOS — CID 6394997

About (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine

(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine (PubChem CID 6394997) has the molecular formula C₁₄H₁₉NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine.

Molecular Properties

• Compound Name: (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
• PubChem CID: 6394997
• Molecular Formula: C₁₄H₁₉NOS
• Molecular Weight: 249.38 g/mol
• Exact Mass: 249.12
• IUPAC Name: (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine
• SMILES: O/N=C1\CCCCCCC1Sc1ccccc1
• InChI: InChI=1S/C14H19NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h3-5,8-9,14,16H,1-2,6-7,10-11H2/b15-13+
• InChIKey: PIYZMQWSFCDKGT-FYWRMAATSA-N
• XLogP: 4.33
• TPSA: 32.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.38
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?

The IUPAC name of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine (CID 6394997) is (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine.

What is the SMILES notation for (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?

The canonical SMILES for (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine is O/N=C1\CCCCCCC1Sc1ccccc1.

What is the InChIKey of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?

The InChIKey is PIYZMQWSFCDKGT-FYWRMAATSA-N. The full InChI is InChI=1S/C14H19NOS/c16-15-13-10-6-1-2-7-11-14(13)17-12-8-4-3-5-9-12/h3-5,8-9,14,16H,1-2,6-7,10-11H2/b15-13+.

What are the key properties of (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine?

(NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine has a molecular weight of 249.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (NE)-N-(2-phenylsulfanylcyclooctylidene)hydroxylamine is sourced from PubChem (CID 6394997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6394997 — identifiers, structure, computed properties (public domain)

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