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

C39H57FN10O8S4 — CID 157271675

IUPAC2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
SMILESC.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1
InChIInChI=1S/C10H13FN2O2S.C10H14N2O2S.2C9H13N3O2S.CH4/c1-8-3-4-9(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;1-8-3-4-9(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;/h3-4,7,12H,2,5-6H2,1H3;3-6,11H,2,7-8H2,1H3;3-4,7,11H,2,5-6H2,1H3;6-7H,2-5H2,1H3;1H4
InChIKeyAYPOCQXOZNIMTR-UHFFFAOYSA-N
MW941.21 g/mol
LogP4.00
Rot. Bonds4

About 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-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;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide (PubChem CID 157271675) has the molecular formula C39H57FN10O8S4 and a molecular weight of 941.21 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
PubChem CID157271675
Molecular FormulaC39H57FN10O8S4
Molecular Weight941.21 g/mol
Exact Mass940.32
IUPAC Name2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide
SMILESC.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1
InChIInChI=1S/C10H13FN2O2S.C10H14N2O2S.2C9H13N3O2S.CH4/c1-8-3-4-9(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;1-8-3-4-9(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;/h3-4,7,12H,2,5-6H2,1H3;3-6,11H,2,7-8H2,1H3;3-4,7,11H,2,5-6H2,1H3;6-7H,2-5H2,1H3;1H4
InChIKeyAYPOCQXOZNIMTR-UHFFFAOYSA-N
XLogP4.00
TPSA224.28 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.21
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine
CID 166633799
US10450297, Example 356
CID 57584535
US10450297, Example 352
CID 57584751
US10450297, Example 351
CID 57584807
N-[5-[2-[4-ethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 60141617
2,4-difluoro-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118298860
N-[4-ethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118302662
US11427567, Example 445
CID 156066154
US11427567, Example 387
CID 156066177
US11427567, Example 392
CID 156066246
US11427567, Example 415
CID 156066360
US11427567, Example 447
CID 156066493

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-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;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide (CID 157271675) is 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-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;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-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;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide is C.Cc1ccc(N2CCCNS2(=O)=O)cc1.Cc1ccc(N2CCCNS2(=O)=O)cc1F.Cc1ccc(N2CCCNS2(=O)=O)cn1.Cc1ncc(N2CCCCS2(=O)=O)cn1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide?
The InChIKey is AYPOCQXOZNIMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S.C10H14N2O2S.2C9H13N3O2S.CH4/c1-8-3-4-9(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;1-8-3-4-9(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;/h3-4,7,12H,2,5-6H2,1H3;3-6,11H,2,7-8H2,1H3;3-4,7,11H,2,5-6H2,1H3;6-7H,2-5H2,1H3;1H4.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-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;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide has a molecular weight of 941.21 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;methane;2-(4-methylphenyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(6-methyl-3-pyridinyl)-1,2,6-thiadiazinane 1,1-dioxide;2-(2-methylpyrimidin-5-yl)thiazinane 1,1-dioxide is sourced from PubChem (CID 157271675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).