Home Sulfos methyl 2,5-dimethyl-4-(piperazine-1-sulfonyl)furan-3-carboxylate

methyl 2,5-dimethyl-4-(piperazine-1-sulfonyl)furan-3-carboxylate

CAS No.:
1087792-63-9
Catalog Number:
AG019N6M
Molecular Formula:
C12H18N2O5S
Molecular Weight:
302.3467
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Product Description
Catalog Number:
AG019N6M
Chemical Name:
methyl 2,5-dimethyl-4-(piperazine-1-sulfonyl)furan-3-carboxylate
CAS Number:
1087792-63-9
Molecular Formula:
C12H18N2O5S
Molecular Weight:
302.3467
MDL Number:
MFCD11505465
IUPAC Name:
methyl 2,5-dimethyl-4-piperazin-1-ylsulfonylfuran-3-carboxylate
InChI:
InChI=1S/C12H18N2O5S/c1-8-10(12(15)18-3)11(9(2)19-8)20(16,17)14-6-4-13-5-7-14/h13H,4-7H2,1-3H3
InChI Key:
AUGGYXRPGPQYCZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)oc(c1S(=O)(=O)N1CCNCC1)C
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.094g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.345g/mol
Monoisotopic Mass:
302.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties