Acetamido piperidine-1-carbodithioate

C₈H₁₄N₂OS₂ — CID 15152681

About Acetamido piperidine-1-carbodithioate

Acetamido piperidine-1-carbodithioate (PubChem CID 15152681) has the molecular formula C₈H₁₄N₂OS₂ and a molecular weight of 218.35 g/mol. Its IUPAC name is acetamido piperidine-1-carbodithioate.

Molecular Properties

• Compound Name: Acetamido piperidine-1-carbodithioate
• PubChem CID: 15152681
• Molecular Formula: C₈H₁₄N₂OS₂
• Molecular Weight: 218.35 g/mol
• Exact Mass: 218.05
• IUPAC Name: acetamido piperidine-1-carbodithioate
• SMILES: CC(=O)NSC(=S)N1CCCCC1
• InChI: InChI=1S/C8H14N2OS2/c1-7(11)9-13-8(12)10-5-3-2-4-6-10/h2-6H2,1H3,(H,9,11)
• InChIKey: JLTYIWDLFBUOJM-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.35
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Acetamido piperidine-1-carbodithioate?

The IUPAC name of Acetamido piperidine-1-carbodithioate (CID 15152681) is acetamido piperidine-1-carbodithioate.

What is the SMILES notation for Acetamido piperidine-1-carbodithioate?

The canonical SMILES for Acetamido piperidine-1-carbodithioate is CC(=O)NSC(=S)N1CCCCC1.

What is the InChIKey of Acetamido piperidine-1-carbodithioate?

The InChIKey is JLTYIWDLFBUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-7(11)9-13-8(12)10-5-3-2-4-6-10/h2-6H2,1H3,(H,9,11).

What are the key properties of Acetamido piperidine-1-carbodithioate?

Acetamido piperidine-1-carbodithioate has a molecular weight of 218.35 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Acetamido piperidine-1-carbodithioate is sourced from PubChem (CID 15152681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15152681 — identifiers, structure, computed properties (public domain)

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