Home Sulfos 1-(ethanesulfonyl)-3-isocyanatopiperidine

1-(ethanesulfonyl)-3-isocyanatopiperidine

CAS No.:
1016844-38-4
Catalog Number:
AG01A9F8
Molecular Formula:
C8H14N2O3S
Molecular Weight:
218.2734
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Product Description
Catalog Number:
AG01A9F8
Chemical Name:
1-(ethanesulfonyl)-3-isocyanatopiperidine
CAS Number:
1016844-38-4
Molecular Formula:
C8H14N2O3S
Molecular Weight:
218.2734
MDL Number:
MFCD09941793
IUPAC Name:
1-ethylsulfonyl-3-isocyanatopiperidine
InChI:
InChI=1S/C8H14N2O3S/c1-2-14(12,13)10-5-3-4-8(6-10)9-7-11/h8H,2-6H2,1H3
InChI Key:
ADJXGUGHPOXIEC-UHFFFAOYSA-N
SMILES:
O=C=NC1CCCN(C1)S(=O)(=O)CC
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.271g/mol
Monoisotopic Mass:
218.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties