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139950-90-6 | Pyrrolidine, 1-[1-[[(4-methylphenyl)sulfonyl]methyl]butyl]-
CAS No: 139950-90-6 Catalog No: AG001BV1 MDL No:
Product Description
Catalog Number:
AG001BV1
Chemical Name:
Pyrrolidine, 1-[1-[[(4-methylphenyl)sulfonyl]methyl]butyl]-
CAS Number:
139950-90-6
Molecular Formula:
C16H25NO2S
Molecular Weight:
295.4402
IUPAC Name:
1-[1-(4-methylphenyl)sulfonylpentan-2-yl]pyrrolidine
InChI:
InChI=1S/C16H25NO2S/c1-3-6-15(17-11-4-5-12-17)13-20(18,19)16-9-7-14(2)8-10-16/h7-10,15H,3-6,11-13H2,1-2H3
InChI Key:
MNCAZXXWLLLNQW-UHFFFAOYSA-N
SMILES:
CCCC(N1CCCC1)CS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.161g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.441g/mol
Monoisotopic Mass:
295.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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