Home Sulfos methyl 1-(4-aminobenzenesulfonyl)piperidine-3-carboxylate

methyl 1-(4-aminobenzenesulfonyl)piperidine-3-carboxylate

CAS No.:
901273-25-4
Catalog Number:
AG019M3S
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
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Product Description
Catalog Number:
AG019M3S
Chemical Name:
methyl 1-(4-aminobenzenesulfonyl)piperidine-3-carboxylate
CAS Number:
901273-25-4
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD07366424
IUPAC Name:
methyl 1-(4-aminophenyl)sulfonylpiperidine-3-carboxylate
InChI:
InChI=1S/C13H18N2O4S/c1-19-13(16)10-3-2-8-15(9-10)20(17,18)12-6-4-11(14)5-7-12/h4-7,10H,2-3,8-9,14H2,1H3
InChI Key:
BAOLKNAVYGHZBM-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties