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16790-89-9

16790-89-9 | Piperidine, 1,1'-(methylene-2,3-thietanediyl)di-, S,S-dioxide (8CI)

CAS No: 16790-89-9 Catalog No: AG001XPA MDL No:

Product Description

Catalog Number:
AG001XPA
Chemical Name:
Piperidine, 1,1'-(methylene-2,3-thietanediyl)di-, S,S-dioxide (8CI)
CAS Number:
16790-89-9
Molecular Formula:
C14H26N2O2S
Molecular Weight:
286.4334
IUPAC Name:
3-piperidin-1-yl-2-(piperidin-1-ylmethyl)thietane 1,1-dioxide
InChI:
InChI=1S/C14H26N2O2S/c17-19(18)12-13(16-9-5-2-6-10-16)14(19)11-15-7-3-1-4-8-15/h13-14H,1-12H2
InChI Key:
UMXQSISCAZISLA-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC(C1CN1CCCCC1)N1CCCCC1
NSC Number:
135391

Properties

Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.171g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.434g/mol
Monoisotopic Mass:
286.171g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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