[(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate

C8H14N2O2S2 — CID 33507

About [(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate

[(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate (PubChem CID 33507) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate.

Molecular Properties

• Compound Name: [(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate
• PubChem CID: 33507
• Molecular Formula: C8H14N2O2S2
• Molecular Weight: 234.30 g/mol
• Exact Mass: 234.05
• IUPAC Name: [(2,4-dimethyl-1,3-dithiolan-2-yl)methylideneamino] N-methylcarbamate
• SMILES: CC1CSC(S1)(C)C=NOC(=O)NC
• InChIKey: GHFMMRFMDHDOBP-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 101.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: 247

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.30
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}