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ZINC01133344 (3R)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamid

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摘 要:ZINC01133344 (3R)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide,Canonical SMILES: CN(C1CCCCC1)S(=O)(=O)C2CCS(=O)(=O)C2,Isomeric SMILES: CN(C1CCCCC1)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2,InChI: InChI=1/C11H21NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8
[Synonyms]
ZINC01133344
[Structure]
ZINC01133344 (3R)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamid

[ Properties Computed from Structure]
Molecular Weight295.41874 [g/mol]
Molecular FormulaC11H21NO4S2
XLogP1.2
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count3
Exact Mass295.0912
MonoIsotopic Mass295.0912
Topological Polar Surface Area71.5
Heavy Atom Count18
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (3R)-N-cyclohexyl-N-methyl-1,1-dioxothiolane-3-sulfonamide
Canonical SMILES: CN(C1CCCCC1)S(=O)(=O)C2CCS(=O)(=O)C2
Isomeric SMILES: CN(C1CCCCC1)S(=O)(=O)[C@@H]2CCS(=O)(=O)C2
InChI: InChI=1/C11H21NO4S2/c1-12(10-5-3-2-4-6-10)18(15,16)11-7-8-17(13,
14)9-11/h10-11H,2-9H2,1H3/t11-/m1/s1

 
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