CID 59411873

C₈H₁₆NOS — CID 59411873

About CID 59411873

CID 59411873 (PubChem CID 59411873) has the molecular formula C₈H₁₆NOS and a molecular weight of 174.29 g/mol.

Molecular Properties

• Compound Name: CID 59411873
• PubChem CID: 59411873
• Molecular Formula: C₈H₁₆NOS
• Molecular Weight: 174.29 g/mol
• Exact Mass: 174.10
• IUPAC Name: —
• SMILES: CC(=O)[CH]CSCCN(C)C
• InChI: InChI=1S/C8H16NOS/c1-8(10)4-6-11-7-5-9(2)3/h4H,5-7H2,1-3H3
• InChIKey: JWWUCXBWDIVNSP-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 20.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	174.29
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 59411873?

The IUPAC name of CID 59411873 (CID 59411873) is not available.

What is the SMILES notation for CID 59411873?

The canonical SMILES for CID 59411873 is CC(=O)[CH]CSCCN(C)C.

What is the InChIKey of CID 59411873?

The InChIKey is JWWUCXBWDIVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NOS/c1-8(10)4-6-11-7-5-9(2)3/h4H,5-7H2,1-3H3.

What are the key properties of CID 59411873?

CID 59411873 has a molecular weight of 174.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 59411873 is sourced from PubChem (CID 59411873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59411873 — identifiers, structure, computed properties (public domain)

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