2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide

C78H108F2N18O16S8 — CID 159863235

About 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide

2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide (PubChem CID 159863235) has the molecular formula C78H108F2N18O16S8 and a molecular weight of 1848.36 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
• PubChem CID: 159863235
• Molecular Formula: C78H108F2N18O16S8
• Molecular Weight: 1848.36 g/mol
• Exact Mass: 1846.59
• IUPAC Name: 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
• SMILES: Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCNS2(=O)=O)cn1
• InChI: InChI=1S/C11H14FNO2S.C11H15NO2S.C10H13FN2O2S.2C10H14N2O2S.2C9H13N3O2S.C8H12N4O2S/c1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-8-3-4-9(7-10(8)11)13-6-2-5-12-16(13,14)15;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-3-4-9(7-10-8)12-6-2-5-11-15(12,13)14;1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-9-5-8(6-10-7)12-4-2-3-11-15(12,13)14/h4-5,8H,2-3,6-7H2,1H3;4-7H,2-3,8-9H2,1H3;3-4,7,12H,2,5-6H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;3-4,7,11H,2,5-6H2,1H3;6-7H,2-5H2,1H3;5-6,11H,2-4H2,1H3
• InChIKey: NRKIXUZSCBMGNW-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 424.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.36
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide (CID 159863235) is 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide.

What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide is Cc1ccc(N2CCCCS2(=O)=O)cc1.Cc1ccc(N2CCCCS2(=O)=O)cc1F.Cc1ccc(N2CCCCS2(=O)=O)cn1.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.Cc1ncc(N2CCCNS2(=O)=O)cn1.

What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

The InChIKey is NRKIXUZSCBMGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S.C11H15NO2S.C10H13FN2O2S.2C10H14N2O2S.2C9H13N3O2S.C8H12N4O2S/c1-9-4-5-10(8-11(9)12)13-6-2-3-7-16(13,14)15;1-10-4-6-11(7-5-10)12-8-2-3-9-15(12,13)14;1-8-3-4-9(7-10(8)11)13-6-2-5-12-16(13,14)15;1-9-3-5-10(6-4-9)12-8-2-7-11-15(12,13)14;1-9-4-5-10(8-11-9)12-6-2-3-7-15(12,13)14;1-8-3-4-9(7-10-8)12-6-2-5-11-15(12,13)14;1-8-10-6-9(7-11-8)12-4-2-3-5-15(12,13)14;1-7-9-5-8(6-10-7)12-4-2-3-11-15(12,13)14/h4-5,8H,2-3,6-7H2,1H3;4-7H,2-3,8-9H2,1H3;3-4,7,12H,2,5-6H2,1H3;3-6,11H,2,7-8H2,1H3;4-5,8H,2-3,6-7H2,1H3;3-4,7,11H,2,5-6H2,1H3;6-7H,2-5H2,1H3;5-6,11H,2-4H2,1H3.

What are the key properties of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?

2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide has a molecular weight of 1848.36 g/mol, XLogP of 8.51, 8 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(3-fluoro-4-methylphenyl)thiazinane 1,1-dioxide;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(4-methylphenyl)thiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)thiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 159863235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).