2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

C₆H₁₄N₂O₃S — CID 117026529

About 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117026529) has the molecular formula C₆H₁₄N₂O₃S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

• Compound Name: 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
• PubChem CID: 117026529
• Molecular Formula: C₆H₁₄N₂O₃S
• Molecular Weight: 194.26 g/mol
• Exact Mass: 194.07
• IUPAC Name: 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
• SMILES: COCCN1CCN(C)S1(=O)=O
• InChI: InChI=1S/C6H14N2O3S/c1-7-3-4-8(5-6-11-2)12(7,9)10/h3-6H2,1-2H3
• InChIKey: ZZXQCOGDZSQLLC-UHFFFAOYSA-N
• XLogP: -0.88
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.26
LogP ≤ 5	-0.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?

The IUPAC name of 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 117026529) is 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide.

What is the SMILES notation for 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?

The canonical SMILES for 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is COCCN1CCN(C)S1(=O)=O.

What is the InChIKey of 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?

The InChIKey is ZZXQCOGDZSQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-7-3-4-8(5-6-11-2)12(7,9)10/h3-6H2,1-2H3.

What are the key properties of 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?

2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 194.26 g/mol, XLogP of -0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117026529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117026529 — identifiers, structure, computed properties (public domain)

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