2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid

C10H18N2O6S — CID 154354783

About 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid

2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid (PubChem CID 154354783) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid
• PubChem CID: 154354783
• Molecular Formula: C10H18N2O6S
• Molecular Weight: 294.33 g/mol
• Exact Mass: 294.09
• IUPAC Name: 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid
• SMILES: CN1C(C)(C(=O)O)CN(C(=O)OC(C)(C)C)S1(=O)=O
• InChI: InChI=1S/C10H18N2O6S/c1-9(2,3)18-8(15)12-6-10(4,7(13)14)11(5)19(12,16)17/h6H2,1-5H3,(H,13,14)
• InChIKey: AIAFFQCKJCJPBJ-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 104.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.33
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid?

The IUPAC name of 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid (CID 154354783) is 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid.

What is the SMILES notation for 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid?

The canonical SMILES for 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid is CN1C(C)(C(=O)O)CN(C(=O)OC(C)(C)C)S1(=O)=O.

What is the InChIKey of 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid?

The InChIKey is AIAFFQCKJCJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-9(2,3)18-8(15)12-6-10(4,7(13)14)11(5)19(12,16)17/h6H2,1-5H3,(H,13,14).

What are the key properties of 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid?

2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,2,5-thiadiazolidine-3-carboxylic acid is sourced from PubChem (CID 154354783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).