Home Sulfos 1-Piperidinecarboxylic acid, 4-[(aminosulfonyl)methyl]-, phenylmethyl ester

1-Piperidinecarboxylic acid, 4-[(aminosulfonyl)methyl]-, phenylmethyl ester

CAS No.:
1585225-95-1
Catalog Number:
AG001Q9D
Molecular Formula:
C14H20N2O4S
Molecular Weight:
312.3846
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Product Description
Catalog Number:
AG001Q9D
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(aminosulfonyl)methyl]-, phenylmethyl ester
CAS Number:
1585225-95-1
Molecular Formula:
C14H20N2O4S
Molecular Weight:
312.3846
MDL Number:
MFCD27501042
IUPAC Name:
benzyl 4-(sulfamoylmethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O4S/c15-21(18,19)11-13-6-8-16(9-7-13)14(17)20-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,15,18,19)
InChI Key:
ZYXQVEYVZKAFLE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CS(=O)(=O)N)OCc1ccccc1
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.114g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.384g/mol
Monoisotopic Mass:
312.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties