Home Sulfos 3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-methoxybenzoic acid

3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-methoxybenzoic acid

CAS No.:
872107-72-7
Catalog Number:
AG019GOC
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
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Product Description
Catalog Number:
AG019GOC
Chemical Name:
3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-4-methoxybenzoic acid
CAS Number:
872107-72-7
Molecular Formula:
C15H21NO5S
Molecular Weight:
327.3959
MDL Number:
MFCD06660481
IUPAC Name:
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoic acid
InChI:
InChI=1S/C15H21NO5S/c1-10-6-11(2)9-16(8-10)22(19,20)14-7-12(15(17)18)4-5-13(14)21-3/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,17,18)
InChI Key:
RNKHACHBXOIHPU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CC(C)CC(C1)C)C(=O)O
Properties
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.395g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties