Dimetotiazine

C₁₉H₂₅N₃O₂S₂ — CID 3089

About Dimetotiazine

Dimetotiazine (PubChem CID 3089) has the molecular formula C₁₉H₂₅N₃O₂S₂ and a molecular weight of 391.56 g/mol. Its IUPAC name is 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide.

Molecular Properties

• Compound Name: Dimetotiazine
• PubChem CID: 3089
• Molecular Formula: C₁₉H₂₅N₃O₂S₂
• Molecular Weight: 391.56 g/mol
• Exact Mass: 391.14
• IUPAC Name: 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
• SMILES: CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
• InChI: InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3
• InChIKey: VWNWVCJGUMZDIU-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 43.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Dimetotiazine?

The IUPAC name of Dimetotiazine (CID 3089) is 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide.

What is the SMILES notation for Dimetotiazine?

The canonical SMILES for Dimetotiazine is CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C.

What is the InChIKey of Dimetotiazine?

The InChIKey is VWNWVCJGUMZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3.

What are the key properties of Dimetotiazine?

Dimetotiazine has a molecular weight of 391.56 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Dimetotiazine is sourced from PubChem (CID 3089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3089 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1235 — approved-drug record (CC BY-SA 4.0)

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