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1018533-19-1 | Piperidine, 4-[[(1-methylethyl)sulfonyl]methyl]-
CAS No: 1018533-19-1 Catalog No: AG0005Q1 MDL No:MFCD23703555
Product Description
Catalog Number:
AG0005Q1
Chemical Name:
Piperidine, 4-[[(1-methylethyl)sulfonyl]methyl]-
CAS Number:
1018533-19-1
Molecular Formula:
C9H19NO2S
Molecular Weight:
205.3177
MDL Number:
MFCD23703555
IUPAC Name:
4-(propan-2-ylsulfonylmethyl)piperidine
InChI:
InChI=1S/C9H19NO2S/c1-8(2)13(11,12)7-9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3
InChI Key:
DKXHFZDMWHOILA-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)CC1CCNCC1)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.114g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.316g/mol
Monoisotopic Mass:
205.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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