Home Sulfos 4-[(Piperidine-1-sulfonyl)methyl]benzonitrile

4-[(Piperidine-1-sulfonyl)methyl]benzonitrile

CAS No.:
1029603-11-9
Catalog Number:
AG00H9W0
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00H9W0
Chemical Name:
4-[(Piperidine-1-sulfonyl)methyl]benzonitrile
CAS Number:
1029603-11-9
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
MDL Number:
MFCD11115642
IUPAC Name:
4-(piperidin-1-ylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C13H16N2O2S/c14-10-12-4-6-13(7-5-12)11-18(16,17)15-8-2-1-3-9-15/h4-7H,1-3,8-9,11H2
InChI Key:
BMHPRBHFJXMUPJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CS(=O)(=O)N1CCCCC1
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties