3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one

C₁₁H₁₉N₃OS — CID 136871758

About 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one

3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one (PubChem CID 136871758) has the molecular formula C₁₁H₁₉N₃OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one.

Molecular Properties

• Compound Name: 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one
• PubChem CID: 136871758
• Molecular Formula: C₁₁H₁₉N₃OS
• Molecular Weight: 241.36 g/mol
• Exact Mass: 241.12
• IUPAC Name: 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one
• SMILES: CC(C)C1CS/C(=N/C2CCCNC2=O)N1
• InChI: InChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(14-9)13-8-4-3-5-12-10(8)15/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
• InChIKey: RDUGRGSOHFFHNV-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 53.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.36
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?

The IUPAC name of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one (CID 136871758) is 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one.

What is the SMILES notation for 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?

The canonical SMILES for 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one is CC(C)C1CS/C(=N/C2CCCNC2=O)N1.

What is the InChIKey of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?

The InChIKey is RDUGRGSOHFFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(14-9)13-8-4-3-5-12-10(8)15/h7-9H,3-6H2,1-2H3,(H,12,15)(H,13,14).

What are the key properties of 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one?

3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one is sourced from PubChem (CID 136871758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 136871758 — identifiers, structure, computed properties (public domain)

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