2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one

C145H214N2O17S9+8 — CID 161606846

About 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one

2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one (PubChem CID 161606846) has the molecular formula C145H214N2O17S9+8 and a molecular weight of 2545.90 g/mol. Its IUPAC name is 2-(4-acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
• PubChem CID: 161606846
• Molecular Formula: C145H214N2O17S9+8
• Molecular Weight: 2545.90 g/mol
• Exact Mass: 2544.35
• IUPAC Name: 2-(4-acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
• SMILES: CCC(C(=O)C1=CC=C(C=C1)C)[S+]2CCOCC2.CCC(C(=O)C1=CC=C(C=C1)C(C)(C)CC)[S+]2CCOCC2.CC1=CC(=CC(=C1C)C(C)(C)C)C(=O)C(C(C)(C)C)[S+]2CCOCC2.CC(C)CC1=CC=C(C=C1)C(=O)C(C)[S+]2CCOCC2.CC(C(=O)C1=CC=CC=C1)[S+]2CCN(CC2)C(=O)C.CC(C)(C)C(C(=O)C1=CC=C(C=C1)C2CCCCC2)[S+]3CCOCC3.CC(C)(C(=O)C1=CC=CC=C1)[S+]2CCN(CC2)S(=O)(=O)C.CC(C)(C(=O)C1=CC=C(C=C1)C2CCCCC2)[S+]3CCOCC3
• InChI: InChI=1S/C22H33O2S.C22H35O2S.C20H29O2S.C19H29O2S.C17H25O2S.C15H22NO3S2.C15H20NO2S.C15H21O2S/c1-22(2,3)21(25-15-13-24-14-16-25)20(23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-15-13-17(14-18(16(15)2)21(3,4)5)19(23)20(22(6,7)8)25-11-9-24-10-12-25;1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-5-17(22-13-11-21-12-14-22)18(20)15-7-9-16(10-8-15)19(3,4)6-2;1-13(2)12-15-4-6-16(7-5-15)17(18)14(3)20-10-8-19-9-11-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-12(15(18)14-6-4-3-5-7-14)19-10-8-16(9-11-19)13(2)17;1-3-14(18-10-8-17-9-11-18)15(16)13-6-4-12(2)5-7-13/h9-12,17,21H,4-8,13-16H2,1-3H3;13-14,20H,9-12H2,1-8H3;8-11,16H,3-7,12-15H2,1-2H3;7-10,17H,5-6,11-14H2,1-4H3;4-7,13-14H,8-12H2,1-3H3;4-8H,9-12H2,1-3H3;3-7,12H,8-11H2,1-2H3;4-7,14H,3,8-11H2,1-2H3/q8*+1
• InChIKey: WUDKSXXDYBDDFZ-UHFFFAOYSA-N
• XLogP: —
• TPSA: 266.00 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 36
• Heavy Atoms: 173
• Complexity: 2980

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2545.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The IUPAC name of 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one (CID 161606846) is 2-(4-acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one.

What is the SMILES notation for 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The canonical SMILES for 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one is CCC(C(=O)C1=CC=C(C=C1)C)[S+]2CCOCC2.CCC(C(=O)C1=CC=C(C=C1)C(C)(C)CC)[S+]2CCOCC2.CC1=CC(=CC(=C1C)C(C)(C)C)C(=O)C(C(C)(C)C)[S+]2CCOCC2.CC(C)CC1=CC=C(C=C1)C(=O)C(C)[S+]2CCOCC2.CC(C(=O)C1=CC=CC=C1)[S+]2CCN(CC2)C(=O)C.CC(C)(C)C(C(=O)C1=CC=C(C=C1)C2CCCCC2)[S+]3CCOCC3.CC(C)(C(=O)C1=CC=CC=C1)[S+]2CCN(CC2)S(=O)(=O)C.CC(C)(C(=O)C1=CC=C(C=C1)C2CCCCC2)[S+]3CCOCC3.

What is the InChIKey of 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

The InChIKey is WUDKSXXDYBDDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33O2S.C22H35O2S.C20H29O2S.C19H29O2S.C17H25O2S.C15H22NO3S2.C15H20NO2S.C15H21O2S/c1-22(2,3)21(25-15-13-24-14-16-25)20(23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-15-13-17(14-18(16(15)2)21(3,4)5)19(23)20(22(6,7)8)25-11-9-24-10-12-25;1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-5-17(22-13-11-21-12-14-22)18(20)15-7-9-16(10-8-15)19(3,4)6-2;1-13(2)12-15-4-6-16(7-5-15)17(18)14(3)20-10-8-19-9-11-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-12(15(18)14-6-4-3-5-7-14)19-10-8-16(9-11-19)13(2)17;1-3-14(18-10-8-17-9-11-18)15(16)13-6-4-12(2)5-7-13/h9-12,17,21H,4-8,13-16H2,1-3H3;13-14,20H,9-12H2,1-8H3;8-11,16H,3-7,12-15H2,1-2H3;7-10,17H,5-6,11-14H2,1-4H3;4-7,13-14H,8-12H2,1-3H3;4-8H,9-12H2,1-3H3;3-7,12H,8-11H2,1-2H3;4-7,14H,3,8-11H2,1-2H3/q8*+1.

What are the key properties of 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one?

2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one has a molecular weight of 2545.90 g/mol, XLogP of not available, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-Acetylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(3-tert-butyl-4,5-dimethylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[4-(2-methylbutan-2-yl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one is sourced from PubChem (CID 161606846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).