N,N'-((1R,2R)-cyclohexane-1,2-diyl)dimethanesulfonamide

• CAS: 122833-58-3
• Catalog Number: ACM122833583-1
• Category: Other Products
• Molecular Weight: 270.37
• Molecular Formula: C8H18N2O4S2
• Synonyms: (1R,2R)-1,2-N,N'-bis[(methane-sulfonyl)amino]-cyclohexane
• IUPAC Name: N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
• Canonical SMILES: CS(=O)(=O)NC1CCCCC1NS(=O)(=O)C
• InChI: JUWLQVLCYRNWSV-HTQZYQBOSA-N
• InChI Key: InChI=1S/C8H18N2O4S2/c1-15(11,12)9-7-5-3-4-6-8(7)10-16(2,13)14/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
• Boiling Point: 428.5±55.0 °C(Predicted)
• Melting Point: 156-157 °C
• Complexity: 376
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 270.07079941
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C
• Monoisotopic Mass: 270.07079941
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 109 Ų

Synthetic Use

Upstream Synthesis Route 1

• 20439-47-8
• 124-63-0

• 122833-58-3

Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 3, p. 840 - 851
[2] Tetrahedron, 1992, vol. 48, # 27, p. 5691 - 5700
[3] Tetrahedron Letters, 1995, vol. 36, # 13, p. 2219 - 2222

Upstream Synthesis Route 2

• 20439-47-8
• 124-63-0

• 122833-58-3

Reference: [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 840 - 851
[2]Tetrahedron,1992,vol. 48,p. 5691 - 5700
[3]Tetrahedron Letters,1995,vol. 36,p. 2219 - 2222