tert-Butyl (1-(methylsulfonyl)piperidin-4-yl)carbamate - ≥95% , CAS No.287953-38-2

CAS: 287953-38-2 Cat. No.: T192539 Peso molecular: 278.37 PubChem CID: 25250149

GRADE & PURITY ≥95%

Synonyms

DS-2678 | A876622 | tert-Butyl (1-(methylsulfonyl)-piperidin-4-yl)carbamate | tert-Butyl (1-(methylsulfonyl)piperidin-4-yl)carbamate | tert-butyl N-(1-methylsulfonylpiperidin-4-yl)carbamate | STK360719 | AKOS005441848 | tert-Butyl 1-(methylsulfonyl)piperi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-2678 | A876622 | tert-Butyl (1-(methylsulfonyl)-piperidin-4-yl)carbamate | tert-Butyl (1-(methylsulfonyl)piperidin-4-yl)carbamate | tert-butyl N-(1-methylsulfonylpiperidin-4-yl)carbamate | STK360719 | AKOS005441848 | tert-Butyl 1-(methylsulfonyl)piperi

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770038
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)C
• IUPAC Name: tert-butyl N-(1-methylsulfonylpiperidin-4-yl)carbamate
• InChIKey: BVSNHVUSSUREGZ-UHFFFAOYSA-N
• INCHI: 1S/C11H22N2O4S/c1-11(2,3)17-10(14)12-9-5-7-13(8-6-9)18(4,15)16/h9H,5-8H2,1-4H3,(H,12,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)C
• PubChem CID: 25250149
• Peso molecular: 278.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Organosulfonamides Organic sulfonamides Sulfonyls Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbamic acid ester - Sulfonyl - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 278.370 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.13 Da
• Monoisotopic Mass: 278.13 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 386.000
• 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