4,4'-Sulfonyldimorpholine , CAS No.5328-68-7

CAS: 5328-68-7 Cat. No.: S668158 Summenformel: C₈H₁₆N₂O₄S Molekulargewicht: 236.29 PubChem CID: 219987

Synonyms

4,4'-Sulfonylbis-morpholine | 4,4'-sulfonyldimorpholine | 4-Morpholinosulfonylmorpholine | 4-(morpholinosulfonyl)morpholine | NSC1982 | 4-morpholin-4-ylsulfonylmorpholine | 4-(morpholine-4-sulfonyl)morpholine | N,N'-Sulfuryldimorpholine | Oprea1_140018 |

Storage

Room temperature

Specifications

Synonyme

4,4'-Sulfonylbis-morpholine | 4,4'-sulfonyldimorpholine | 4-Morpholinosulfonylmorpholine | 4-(morpholinosulfonyl)morpholine | NSC1982 | 4-morpholin-4-ylsulfonylmorpholine | 4-(morpholine-4-sulfonyl)morpholine | N,N'-Sulfuryldimorpholine | Oprea1_140018 |

Storage

Room temperature

Produkteigenschaften

• ALogP: -1.3

Namen und Kennungen

• Kanonisches Lächeln: C1COCCN1S(=O)(=O)N2CCOCC2
• IUPAC Name: 4-morpholin-4-ylsulfonylmorpholine
• InChIKey: SOBXUYMZUBUAOG-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
• Isomere SMILES: C1COCCN1S(=O)(=O)N2CCOCC2
• PubChem CID: 219987
• Molekulargewicht: 236.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Sulfuric acid diamides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfuric acid diamide - Morpholine - Organic sulfuric acid or derivatives - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CA7 Tclin Carbonic anhydrase 7 (1 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Ca7 Carbonic anhydrase VII (3 Activities)

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Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 236.290 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 236.083 Da
• Monoisotopic Mass: 236.083 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 264.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1