acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane

C83H113N17O26S10 — CID 158638694

About acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane

acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane (PubChem CID 158638694) has the molecular formula C83H113N17O26S10 and a molecular weight of 2085.58 g/mol. Its IUPAC name is acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane.

Molecular Properties

• Compound Name: acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane
• PubChem CID: 158638694
• Molecular Formula: C83H113N17O26S10
• Molecular Weight: 2085.58 g/mol
• Exact Mass: 2083.52
• IUPAC Name: acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane
• SMILES: C.C.C.C.CC.CC.CC.CC.CC(=O)O.CCOC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O.CNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1.CNC(=O)c1cccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)n1.CNC(=O)c1ccnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)c1
• InChI: InChI=1S/3C15H14N4O5S2.C13H11N3O4S2.C10H11NO5S2.C2H4O2.4C2H6.CH5N.4CH4/c1-16-14(21)8-3-5-17-10(7-8)18-15(22)11-12(20)13-9(4-6-25-13)26(23,24)19(11)2;1-16-14(21)8-3-4-10(17-7-8)18-15(22)11-12(20)13-9(5-6-25-13)26(23,24)19(11)2;1-16-14(21)8-4-3-5-10(17-8)18-15(22)11-12(20)13-9(6-7-25-13)26(23,24)19(11)2;1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20;1-3-16-10(13)7-8(12)9-6(4-5-17-9)18(14,15)11(7)2;1-2(3)4;5*1-2;;;;/h3*3-7,20H,1-2H3,(H,16,21)(H,17,18,22);2-7,17H,1H3,(H,14,15,18);4-5,12H,3H2,1-2H3;1H3,(H,3,4);4*1-2H3;2H2,1H3;4*1H4
• InChIKey: DUZHMUJDMOIDLA-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 632.93 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.58
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane?

The IUPAC name of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane (CID 158638694) is acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane.

What is the SMILES notation for acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane?

The canonical SMILES for acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane is C.C.C.C.CC.CC.CC.CC.CC(=O)O.CCOC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C.CN.CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O.CNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1.CNC(=O)c1cccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)n1.CNC(=O)c1ccnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)c1.

What is the InChIKey of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane?

The InChIKey is DUZHMUJDMOIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H14N4O5S2.C13H11N3O4S2.C10H11NO5S2.C2H4O2.4C2H6.CH5N.4CH4/c1-16-14(21)8-3-5-17-10(7-8)18-15(22)11-12(20)13-9(4-6-25-13)26(23,24)19(11)2;1-16-14(21)8-3-4-10(17-7-8)18-15(22)11-12(20)13-9(5-6-25-13)26(23,24)19(11)2;1-16-14(21)8-4-3-5-10(17-8)18-15(22)11-12(20)13-9(6-7-25-13)26(23,24)19(11)2;1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20;1-3-16-10(13)7-8(12)9-6(4-5-17-9)18(14,15)11(7)2;1-2(3)4;5*1-2;;;;/h3*3-7,20H,1-2H3,(H,16,21)(H,17,18,22);2-7,17H,1H3,(H,14,15,18);4-5,12H,3H2,1-2H3;1H3,(H,3,4);4*1-2H3;2H2,1H3;4*1H4.

What are the key properties of acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane?

acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane has a molecular weight of 2085.58 g/mol, XLogP of 12.14, 13 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;ethane;ethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[4-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[5-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide;methanamine;methane is sourced from PubChem (CID 158638694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).