Home Sulfos 2-(piperidine-1-sulfonyl)acetonitrile

2-(piperidine-1-sulfonyl)acetonitrile

CAS No.:
926253-31-8
Catalog Number:
AG01A6LN
Molecular Formula:
C7H12N2O2S
Molecular Weight:
188.2474
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Product Description
Catalog Number:
AG01A6LN
Chemical Name:
2-(piperidine-1-sulfonyl)acetonitrile
CAS Number:
926253-31-8
Molecular Formula:
C7H12N2O2S
Molecular Weight:
188.2474
MDL Number:
MFCD09041547
IUPAC Name:
2-piperidin-1-ylsulfonylacetonitrile
InChI:
InChI=1S/C7H12N2O2S/c8-4-7-12(10,11)9-5-2-1-3-6-9/h1-3,5-7H2
InChI Key:
KEGXIDKBFLBUHX-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)N1CCCCC1
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.062g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.245g/mol
Monoisotopic Mass:
188.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties