3-Fluoro-1-sulfanylpiperidine

C₅H₁₀FNS — CID 154686887

About 3-Fluoro-1-sulfanylpiperidine

3-Fluoro-1-sulfanylpiperidine (PubChem CID 154686887) has the molecular formula C₅H₁₀FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-fluoro-1-sulfanylpiperidine.

Molecular Properties

• Compound Name: 3-Fluoro-1-sulfanylpiperidine
• PubChem CID: 154686887
• Molecular Formula: C₅H₁₀FNS
• Molecular Weight: 135.21 g/mol
• Exact Mass: 135.05
• IUPAC Name: 3-fluoro-1-sulfanylpiperidine
• SMILES: FC1CCCN(S)C1
• InChI: InChI=1S/C5H10FNS/c6-5-2-1-3-7(8)4-5/h5,8H,1-4H2
• InChIKey: KABAYTRUMPNDFR-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 3.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	135.21
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-Fluoro-1-sulfanylpiperidine?

The IUPAC name of 3-Fluoro-1-sulfanylpiperidine (CID 154686887) is 3-fluoro-1-sulfanylpiperidine.

What is the SMILES notation for 3-Fluoro-1-sulfanylpiperidine?

The canonical SMILES for 3-Fluoro-1-sulfanylpiperidine is FC1CCCN(S)C1.

What is the InChIKey of 3-Fluoro-1-sulfanylpiperidine?

The InChIKey is KABAYTRUMPNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c6-5-2-1-3-7(8)4-5/h5,8H,1-4H2.

What are the key properties of 3-Fluoro-1-sulfanylpiperidine?

3-Fluoro-1-sulfanylpiperidine has a molecular weight of 135.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Fluoro-1-sulfanylpiperidine is sourced from PubChem (CID 154686887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154686887 — identifiers, structure, computed properties (public domain)

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