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

C134H187N31O32S8 — CID 159185926

IUPAC(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide
SMILESCC(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.CCCC(=O)N1CCCC(COc2cccc3c2C(N)=NS(=O)(=O)C3)C1.CCCNC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCNC(=O)N1CC[C@@H](COc2cccc3c2C(N)=NS(=O)(=O)C3)C1.CCNC(=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
InChIInChI=1S/C18H26N4O4S.C18H25N3O4S.3C17H24N4O4S.2C16H22N4O4S.C15H20N4O4S/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;1-2-5-16(22)21-9-4-6-13(10-21)11-25-15-8-3-7-14-12-26(23,24)20-18(19)17(14)15;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;1-2-7-19-17(22)21-8-6-12(9-21)10-25-14-5-3-4-13-11-26(23,24)20-16(18)15(13)14;2*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;1-17-15(20)19-7-3-5-11(19)8-23-12-6-2-4-10-9-24(21,22)18-14(16)13(10)12/h4,6,8,13H,5,7,9-11H2,1-3H3,(H2,19,21)(H,20,23);3,7-8,13H,2,4-6,9-12H2,1H3,(H2,19,20);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);3-5,12H,2,6-11H2,1H3,(H2,18,20)(H,19,22);2*3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,19)(H,18,21);2,4,6,11H,3,5,7-9H2,1H3,(H2,16,18)(H,17,20)/t13-;;2*13-;3*12-;11-/m1.111101/s1
InChIKeyKNMGUMWZJZXAGK-FFMUMRIOSA-N
MW3000.69 g/mol
LogP8.72
Rot. Bonds33

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

(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide (PubChem CID 159185926) has the molecular formula C134H187N31O32S8 and a molecular weight of 3000.69 g/mol. Its IUPAC name is (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide
PubChem CID159185926
Molecular FormulaC134H187N31O32S8
Molecular Weight3000.69 g/mol
Exact Mass2998.17
IUPAC Name(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide
SMILESCC(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.CCCC(=O)N1CCCC(COc2cccc3c2C(N)=NS(=O)(=O)C3)C1.CCCNC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCNC(=O)N1CC[C@@H](COc2cccc3c2C(N)=NS(=O)(=O)C3)C1.CCNC(=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
InChIInChI=1S/C18H26N4O4S.C18H25N3O4S.3C17H24N4O4S.2C16H22N4O4S.C15H20N4O4S/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;1-2-5-16(22)21-9-4-6-13(10-21)11-25-15-8-3-7-14-12-26(23,24)20-18(19)17(14)15;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;1-2-7-19-17(22)21-8-6-12(9-21)10-25-14-5-3-4-13-11-26(23,24)20-16(18)15(13)14;2*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;1-17-15(20)19-7-3-5-11(19)8-23-12-6-2-4-10-9-24(21,22)18-14(16)13(10)12/h4,6,8,13H,5,7,9-11H2,1-3H3,(H2,19,21)(H,20,23);3,7-8,13H,2,4-6,9-12H2,1H3,(H2,19,20);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);3-5,12H,2,6-11H2,1H3,(H2,18,20)(H,19,22);2*3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,19)(H,18,21);2,4,6,11H,3,5,7-9H2,1H3,(H2,16,18)(H,17,20)/t13-;;2*13-;3*12-;11-/m1.111101/s1
InChIKeyKNMGUMWZJZXAGK-FFMUMRIOSA-N
XLogP8.72
TPSA900.69 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003000.69
LogP ≤ 58.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one
CID 58429772
bis((2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide);(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylcyclopentane-1-carboxamide;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]butan-1-one
CID 157134394
2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpiperidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpiperidine-1-carboxamide;(2S)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpiperidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]hexan-1-one;[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 158699109
1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclobutylmethanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclobutylmethanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclohexylmethanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclopentylmethanone;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methylbutan-1-one
CID 157081362
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]ethanone
CID 147247749
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 152876735
(2R)-2-[(5-amino-3,3-dioxo-1,2-dihydro-3λ6,1,4-benzothiadiazepin-6-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 163497646
(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]pyrrolidin-1-yl]-2-methylpropan-1-one;5-[(2S)-butan-2-yl]oxy-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine;5-(cyclopropylmethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine;2,2-dioxo-5-(oxolan-2-ylmethoxy)-1H-2λ6,3-benzothiazin-4-amine;2,2-dioxo-5-(oxolan-3-ylmethoxy)-1H-2λ6,3-benzothiazin-4-amine;2,2-dioxo-5-pentan-3-yloxy-1H-2λ6,3-benzothiazin-4-amine;5-(3-methoxypropoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine;5-(oxan-4-ylmethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 158941890
(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-(pyridin-4-ylmethyl)piperidine-1-carboxamide
CID 149232989
[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclopentylmethanone;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-phenylethanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-phenylethanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 159119662
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-cyclohexylmethanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-methoxypropan-1-one;[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(oxolan-2-yl)methanone;1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]propan-1-one
CID 162089238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide (CID 159185926) is (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide is 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.CCCC(=O)N1CCCC(COc2cccc3c2C(N)=NS(=O)(=O)C3)C1.CCCNC(=O)N1CCC[C@@H]1COc1cccc2c1C(N)=NS(=O)(=O)C2.CCCNC(=O)N1CC[C@@H](COc2cccc3c2C(N)=NS(=O)(=O)C3)C1.CCNC(=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.
What is the InChIKey of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide?
The InChIKey is KNMGUMWZJZXAGK-FFMUMRIOSA-N. The full InChI is InChI=1S/C18H26N4O4S.C18H25N3O4S.3C17H24N4O4S.2C16H22N4O4S.C15H20N4O4S/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;1-2-5-16(22)21-9-4-6-13(10-21)11-25-15-8-3-7-14-12-26(23,24)20-18(19)17(14)15;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;1-2-7-19-17(22)21-8-6-12(9-21)10-25-14-5-3-4-13-11-26(23,24)20-16(18)15(13)14;2*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;1-17-15(20)19-7-3-5-11(19)8-23-12-6-2-4-10-9-24(21,22)18-14(16)13(10)12/h4,6,8,13H,5,7,9-11H2,1-3H3,(H2,19,21)(H,20,23);3,7-8,13H,2,4-6,9-12H2,1H3,(H2,19,20);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);3-5,12H,2,6-11H2,1H3,(H2,18,20)(H,19,22);2*3,5,7,12H,2,4,6,8-10H2,1H3,(H2,17,19)(H,18,21);2,4,6,11H,3,5,7-9H2,1H3,(H2,16,18)(H,17,20)/t13-;;2*13-;3*12-;11-/m1.111101/s1.
What are the key properties of (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide?
(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide has a molecular weight of 3000.69 g/mol, XLogP of 8.72, 33 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-tert-butylpyrrolidine-1-carboxamide;(2R)-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-ethylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-methylpyrrolidine-1-carboxamide;1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propan-2-ylpyrrolidine-1-carboxamide;(2R)-2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide;(3R)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 159185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).