3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one

C147H202N32O37S9 — CID 158087998

About 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one

3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 158087998) has the molecular formula C147H202N32O37S9 and a molecular weight of 3298.02 g/mol. Its IUPAC name is 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 158087998
• Molecular Formula: C147H202N32O37S9
• Molecular Weight: 3298.02 g/mol
• Exact Mass: 3295.24
• IUPAC Name: 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
• SMILES: CC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CC(C)(C)NC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CC(C)NC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCNC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCNC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CNC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.COCCNC(=O)C(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)C2
• InChI: InChI=1S/C18H26N4O4S.2C17H24N4O4S.C17H23N3O4S.C16H22N4O4S.C16H23N3O5S.C16H21N3O4S.C15H20N4O4S.C15H19N3O4S/c1-18(2,3)20-17(23)22-9-5-7-13(22)10-26-14-8-4-6-12-11-27(24,25)21-16(19)15(12)14;1-11(2)19-17(22)21-8-4-6-13(21)9-25-14-7-3-5-12-10-26(23,24)20-16(18)15(12)14;1-2-8-19-17(22)21-9-4-6-13(21)10-25-14-7-3-5-12-11-26(23,24)20-16(18)15(12)14;1-2-5-15(21)20-9-4-7-13(20)10-24-14-8-3-6-12-11-25(22,23)19-17(18)16(12)14;1-2-18-16(21)20-8-4-6-12(20)9-24-13-7-3-5-11-10-25(22,23)19-15(17)14(11)13;1-16(2,15(20)18-7-8-23-3)10-24-12-6-4-5-11-9-25(21,22)19-14(17)13(11)12;1-2-14(20)19-8-4-6-12(19)9-23-13-7-3-5-11-10-24(21,22)18-16(17)15(11)13;1-17-15(20)19-7-3-5-11(19)8-23-12-6-2-4-10-9-24(21,22)18-14(16)13(10)12;1-10(19)18-7-3-5-12(18)8-22-13-6-2-4-11-9-23(20,21)17-15(16)14(11)13/h4,6,8,13H,5,7,9-11H2,1-3H3,(H2,19,21)(H,20,23);3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,18,20)(H,19,22);3,5,7,13H,2,4,6,8-11H2,1H3,(H2,18,20)(H,19,22);3,6,8,13H,2,4-5,7,9-11H2,1H3,(H2,18,19);3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,19)(H,18,21);4-6H,7-10H2,1-3H3,(H2,17,19)(H,18,20);3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,18);2,4,6,11H,3,5,7-9H2,1H3,(H2,16,18)(H,17,20);2,4,6,12H,3,5,7-9H2,1H3,(H2,16,17)/t4*13-;12-;;12-;11-;12-/m11000.000/s1
• InChIKey: FNTBKZZERSHKPI-HSTPSYILSA-N
• XLogP: 8.66
• TPSA: 996.71 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 46
• Rotatable Bonds: 38
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3298.02
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one (CID 158087998) is 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one is CC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CC(C)(C)NC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CC(C)NC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCNC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCNC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CNC(=O)N1CCC[C@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.COCCNC(=O)C(C)(C)COc1cccc2c1C(N)=NS(=O)(=O)C2.

What is the InChIKey of 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is FNTBKZZERSHKPI-HSTPSYILSA-N. The full InChI is InChI=1S/C18H26N4O4S.2C17H24N4O4S.C17H23N3O4S.C16H22N4O4S.C16H23N3O5S.C16H21N3O4S.C15H20N4O4S.C15H19N3O4S/c1-18(2,3)20-17(23)22-9-5-7-13(22)10-26-14-8-4-6-12-11-27(24,25)21-16(19)15(12)14;1-11(2)19-17(22)21-8-4-6-13(21)9-25-14-7-3-5-12-10-26(23,24)20-16(18)15(12)14;1-2-8-19-17(22)21-9-4-6-13(21)10-25-14-7-3-5-12-11-26(23,24)20-16(18)15(12)14;1-2-5-15(21)20-9-4-7-13(20)10-24-14-8-3-6-12-11-25(22,23)19-17(18)16(12)14;1-2-18-16(21)20-8-4-6-12(20)9-24-13-7-3-5-11-10-25(22,23)19-15(17)14(11)13;1-16(2,15(20)18-7-8-23-3)10-24-12-6-4-5-11-9-25(21,22)19-14(17)13(11)12;1-2-14(20)19-8-4-6-12(19)9-23-13-7-3-5-11-10-24(21,22)18-16(17)15(11)13;1-17-15(20)19-7-3-5-11(19)8-23-12-6-2-4-10-9-24(21,22)18-14(16)13(10)12;1-10(19)18-7-3-5-12(18)8-22-13-6-2-4-11-9-23(20,21)17-15(16)14(11)13/h4,6,8,13H,5,7,9-11H2,1-3H3,(H2,19,21)(H,20,23);3,5,7,11,13H,4,6,8-10H2,1-2H3,(H2,18,20)(H,19,22);3,5,7,13H,2,4,6,8-11H2,1H3,(H2,18,20)(H,19,22);3,6,8,13H,2,4-5,7,9-11H2,1H3,(H2,18,19);3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,19)(H,18,21);4-6H,7-10H2,1-3H3,(H2,17,19)(H,18,20);3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,18);2,4,6,11H,3,5,7-9H2,1H3,(H2,16,18)(H,17,20);2,4,6,12H,3,5,7-9H2,1H3,(H2,16,17)/t4*13-;12-;;12-;11-;12-/m11000.000/s1.

What are the key properties of 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one?

3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 3298.02 g/mol, XLogP of 8.66, 38 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-N-(2-methoxyethyl)-2,2-dimethylpropanamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]ethanone;1-[(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 158087998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).