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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 630421-42-0, N-(tert-butyl)cyclopropanesulfonamide, Cyclopropanesulfonic acid tert-butylamide, Schembl832867, Dtxsid00626264, N-(t-butyl)cyclopropanesulfonamide
    Molecular Formula
    C7H15NO2S
    Molecular Weight
    177.27  g/mol
    InChI Key
    JTZIZFSBVOHJQD-UHFFFAOYSA-N
    CAS 630421-42-0
    1 2D Structure

    CAS 630421-42-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-tert-butylcyclopropanesulfonamide
    2.1.2 InChI
    InChI=1S/C7H15NO2S/c1-7(2,3)8-11(9,10)6-4-5-6/h6,8H,4-5H2,1-3H3
    2.1.3 InChI Key
    JTZIZFSBVOHJQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)NS(=O)(=O)C1CC1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 630421-42-0

    2. N-(tert-butyl)cyclopropanesulfonamide

    3. Cyclopropanesulfonic Acid Tert-butylamide

    4. Schembl832867

    5. Dtxsid00626264

    6. N-(t-butyl)cyclopropanesulfonamide

    7. N-t-butyl-1-cyclopropylsulfonamide

    8. N-tert-butyl Cyclopropylsulfonamide

    9. Mfcd11505907

    10. Zinc44137829

    11. Akos006325033

    12. Ac-30861

    13. As-37150

    14. Cs-0154867

    15. A847188

    16. A1-08879

    17. Cyclopropanesulfonic Acid Tert-butylamide;n-tert-butylcyclopropanesulfonamide

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 177.27 g/mol
    Molecular Formula C7H15NO2S
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass177.08234989 g/mol
    Monoisotopic Mass177.08234989 g/mol
    Topological Polar Surface Area54.6 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity228
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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