Name: Name:1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG019HTO
Rating: 90 (10 reviews)

1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:

722473-56-5

Catalog Number:

AG019HTO

Molecular Formula:

C16H23NO4S

Molecular Weight:

325.4231

Catalog Number:

AG019HTO

Chemical Name:

1-(2,3,5,6-tetramethylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS Number:

722473-56-5

Molecular Formula:

C16H23NO4S

Molecular Weight:

325.4231

MDL Number:

MFCD03957012

IUPAC Name:

1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C16H23NO4S/c1-10-9-11(2)13(4)15(12(10)3)22(20,21)17-7-5-14(6-8-17)16(18)19/h9,14H,5-8H2,1-4H3,(H,18,19)

InChI Key:

JDZUJZPRQPGONL-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)c(C)cc(c1C)C

Complexity:

491

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

325.423g/mol

Monoisotopic Mass:

325.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5