acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine

C89H107N17O26S5 — CID 159493432

IUPACacetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine
SMILESCC.CC.CC.CC.CC(=O)O.CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.CNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.CNC(=O)c1cccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1.CNC(=O)c1ccnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)c1
InChIInChI=1S/3C17H16N4O5S.C15H13N3O4S.C12H13NO5S.C2H4O2.4C2H6.CH5N/c1-18-16(23)11-7-5-9-13(19-11)20-17(24)14-15(22)10-6-3-4-8-12(10)27(25,26)21(14)2;1-18-16(23)10-7-8-19-13(9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2;1-18-16(23)10-7-8-13(19-9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2;1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2;1-2(3)4;5*1-2/h3*3-9,22H,1-2H3,(H,18,23)(H,19,20,24);2-9,19H,1H3,(H,16,17,20);4-7,14H,3H2,1-2H3;1H3,(H,3,4);4*1-2H3;2H2,1H3
InChIKeyZEGBJVZTRKSORU-UHFFFAOYSA-N
MW1991.26 g/mol
LogP9.28
Rot. Bonds13

About acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine

acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine (PubChem CID 159493432) has the molecular formula C89H107N17O26S5 and a molecular weight of 1991.26 g/mol. Its IUPAC name is acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine.

Molecular Properties

Compound Nameacetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine
PubChem CID159493432
Molecular FormulaC89H107N17O26S5
Molecular Weight1991.26 g/mol
Exact Mass1989.62
IUPAC Nameacetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine
SMILESCC.CC.CC.CC.CC(=O)O.CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.CNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.CNC(=O)c1cccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1.CNC(=O)c1ccnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)c1
InChIInChI=1S/3C17H16N4O5S.C15H13N3O4S.C12H13NO5S.C2H4O2.4C2H6.CH5N/c1-18-16(23)11-7-5-9-13(19-11)20-17(24)14-15(22)10-6-3-4-8-12(10)27(25,26)21(14)2;1-18-16(23)10-7-8-19-13(9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2;1-18-16(23)10-7-8-13(19-9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2;1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2;1-2(3)4;5*1-2/h3*3-9,22H,1-2H3,(H,18,23)(H,19,20,24);2-9,19H,1H3,(H,16,17,20);4-7,14H,3H2,1-2H3;1H3,(H,3,4);4*1-2H3;2H2,1H3
InChIKeyZEGBJVZTRKSORU-UHFFFAOYSA-N
XLogP9.28
TPSA632.93 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001991.26
LogP ≤ 59.28
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Analyze acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine 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

4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
1,4-dioxane;tetrakis(4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide)
CID 139145418
magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide
CID 174276013
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
CID 68842792
N-(6-chloro-2-pyridinyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54720115
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
CID 54725726
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] methanesulfonate
CID 12802650
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] butane-1-sulfonate
CID 20555840
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl]oxy]butyl hydrogen carbonate
CID 86142167
ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]amino]pyridine-4-carboxylate
CID 108755465
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine?
The IUPAC name of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine (CID 159493432) is acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine.
What is the SMILES notation for acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine?
The canonical SMILES for acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine is CC.CC.CC.CC.CC(=O)O.CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O.CNC(=O)c1ccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)nc1.CNC(=O)c1cccc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1.CNC(=O)c1ccnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)c1.
What is the InChIKey of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine?
The InChIKey is ZEGBJVZTRKSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H16N4O5S.C15H13N3O4S.C12H13NO5S.C2H4O2.4C2H6.CH5N/c1-18-16(23)11-7-5-9-13(19-11)20-17(24)14-15(22)10-6-3-4-8-12(10)27(25,26)21(14)2;1-18-16(23)10-7-8-19-13(9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2;1-18-16(23)10-7-8-13(19-9-10)20-17(24)14-15(22)11-5-3-4-6-12(11)27(25,26)21(14)2;1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22;1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2;1-2(3)4;5*1-2/h3*3-9,22H,1-2H3,(H,18,23)(H,19,20,24);2-9,19H,1H3,(H,16,17,20);4-7,14H,3H2,1-2H3;1H3,(H,3,4);4*1-2H3;2H2,1H3.
What are the key properties of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine?
acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine has a molecular weight of 1991.26 g/mol, XLogP of 9.28, 13 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;methanamine is sourced from PubChem (CID 159493432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).