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10099-19-1 | Piperidine, 1,1'-[(benzylsulfonyl)vinylidene]di- (8CI)
CAS No: 10099-19-1 Catalog No: AG0003EJ MDL No:
Product Description
Catalog Number:
AG0003EJ
Chemical Name:
Piperidine, 1,1'-[(benzylsulfonyl)vinylidene]di- (8CI)
CAS Number:
10099-19-1
Molecular Formula:
C19H28N2O2S
Molecular Weight:
348.5028
IUPAC Name:
1-(2-benzylsulfonyl-1-piperidin-1-ylethenyl)piperidine
InChI:
InChI=1S/C19H28N2O2S/c22-24(23,16-18-10-4-1-5-11-18)17-19(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1,4-5,10-11,17H,2-3,6-9,12-16H2
InChI Key:
BNZGVBFKMMQVOB-UHFFFAOYSA-N
SMILES:
O=S(=O)(Cc1ccccc1)C=C(N1CCCCC1)N1CCCCC1
NSC Number:
140310
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.187g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.505g/mol
Monoisotopic Mass:
348.187g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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