Home Amines 1017782-89-6
1017782-89-6,MFCD09972257
Catalog No.:AA0005GQ
1017782-89-6 | 3-Piperidinecarboxylic acid, 1-[[(2-bromoethyl)[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, ethyl ester
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Technical Information
Catalog Number:
AA0005GQ
Chemical Name:
3-Piperidinecarboxylic acid, 1-[[(2-bromoethyl)[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-, ethyl ester
CAS Number:
1017782-89-6
Molecular Formula:
C15H27BrN2O6S
Molecular Weight:
443.3537
MDL Number:
MFCD09972257
IUPAC Name:
ethyl 1-[2-bromoethyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]piperidine-3-carboxylate
InChI:
InChI=1S/C15H27BrN2O6S/c1-5-23-13(19)12-7-6-9-17(11-12)25(21,22)18(10-8-16)14(20)24-15(2,3)4/h12H,5-11H2,1-4H3
InChI Key:
FNHJLBDFJKVOOH-UHFFFAOYSA-N
SMILES:
BrCCN(S(=O)(=O)N1CCCC(C1)C(=O)OCC)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.077g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.353g/mol
Monoisotopic Mass:
442.077g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1017782-89-6 
Ethyl 1-(N-(2-bromoethyl)-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylate 
MFCD09972257 
AKOS005073475 
MB-0806 
RP17254 
AX8201874 
TR-065263 
J-520501 
ethylbromoethyltertbutoxycarbonylaminosulfonylpiperidinecarboxylate 
ethyl 1-[(2-bromoethyl)(tert-butoxycarbonyl)aminosulfonyl]piperidine-3-carboxylate 
Ethyl 1-[(2-bromoethyl)(tert-butoxycarbonyl)sulfamoyl]piperidine-3-carboxylate 
ethyl 1-{[(2-bromoethyl)(tert-butoxycarbonyl)amino]sulfonyl}-3-piperidinecarboxylate 
ethyl 1-{[(2-bromoethyl)[(tert-butoxy)carbonyl]amino]sulfonyl}piperidine-3-carboxylate 
Ethyl1-(N-(2-bromoethyl)-N-(tert-butoxycarbonyl)sulfamoyl)piperidine-3-carboxylate 
Ethyl 1-{[(2-bromoethyl)(tert-butoxycarbonyl)-amino]sulfonyl}-3-piperidinecarboxylate 
C15H27BrN2O6S 
CTK5J0324 
DTXSID60656486 
KS-000027NA 
0466AA 
ANW-55148 
Literature
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