Cas no 872548-22-6 (3-(Piperidin-1-ylsulfonyl)benzaldehyde)

3-(Piperidin-1-ylsulfonyl)benzaldehyde structure
872548-22-6 structure
Product Name:3-(Piperidin-1-ylsulfonyl)benzaldehyde
CAS No:872548-22-6
MF:C12H15NO3S
MW:253.317402124405
CID:2122381
Update Time:2023-08-04

3-(Piperidin-1-ylsulfonyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(1-piperidinylsulfonyl)Benzaldehyde
    • 3-(piperidin-1-ylsulfonyl)benzaldehyde
    • Oprea1_582349
    • XNJUDJDGKNMOAC-UHFFFAOYSA-N
    • 3-(Piperidin-1-ylsulfonyl)benzaldehyde
    • Inchi: 1S/C12H15NO3S/c14-10-11-5-4-6-12(9-11)17(15,16)13-7-2-1-3-8-13/h4-6,9-10H,1-3,7-8H2
    • InChI Key: XNJUDJDGKNMOAC-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=C(C=O)C=1)(N1CCCCC1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 354
  • Topological Polar Surface Area: 62.8
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