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    147200-03-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 147200-03-1, N-[(4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]acetamide, (4s)-4-acetamide-5,6-dihydro-6-methyl-2-sulfonamide-thio[2,3-b]thiopyran7,7dioxide, 199734-58-2, Acetamide, n-[(4r,6r)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl]-, rel-, N-[(4s,6s)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl]acetami
    Molecular Formula
    C10H14N2O5S3
    Molecular Weight
    338.4  g/mol
    InChI Key
    MQRCTNZVQVRCRD-XNCJUZBTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
    2.1.2 InChI
    InChI=1S/C10H14N2O5S3/c1-5-3-8(12-6(2)13)7-4-9(20(11,16)17)18-10(7)19(5,14)15/h4-5,8H,3H2,1-2H3,(H,12,13)(H2,11,16,17)/t5-,8-/m0/s1
    2.1.3 InChI Key
    MQRCTNZVQVRCRD-XNCJUZBTSA-N
    2.1.4 Canonical SMILES
    CC1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)NC(=O)C
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)NC(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147200-03-1

    2. N-[(4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]acetamide

    3. (4s)-4-acetamide-5,6-dihydro-6-methyl-2-sulfonamide-thio[2,3-b]thiopyran7,7dioxide

    4. 199734-58-2

    5. Acetamide, N-[(4r,6r)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl]-, Rel-

    6. N-[(4s,6s)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl]acetami

    7. Schembl12315837

    8. Amy8618

    9. Dtxsid40440163

    10. Bcp11929

    11. Mfcd12407171

    12. Zinc38883796

    13. Akos015898774

    14. Ac-6912

    15. Acetamide, N-[(4s,6s)-2-(aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl]-

    16. Ds-17941

    17. N-[(4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-tetrahydro-7lambda~6~-thieno[2,3-b]thiopyran-4-yl]acetamide

    18. Db-027159

    19. Cs-0158165

    20. Ft-0771878

    21. D70653

    22. 200m031

    23. J-501481

    24. N-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl]acetamide

    25. N-((4s,6s)-6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-4-yl)-acetamide

    26. Trans-(6s)-4-acetylamino-5,6-dihydro-6-methyl-7,7-dioxo-4h-thieno[2,3-b]thiopyran-2-sulfonamide

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 338.4 g/mol
    Molecular Formula C10H14N2O5S3
    XLogP3-0.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass338.00648507 g/mol
    Monoisotopic Mass338.00648507 g/mol
    Topological Polar Surface Area168 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity604
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1