Name: Name:1-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG019IMK
Rating: 90 (10 reviews)

1-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:

394245-69-3

Catalog Number:

AG019IMK

Molecular Formula:

C15H21NO4S

Molecular Weight:

311.3965

Catalog Number:

AG019IMK

Chemical Name:

1-(2,4,6-trimethylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS Number:

394245-69-3

Molecular Formula:

C15H21NO4S

Molecular Weight:

311.3965

MDL Number:

MFCD02656004

IUPAC Name:

1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C15H21NO4S/c1-10-8-11(2)14(12(3)9-10)21(19,20)16-6-4-13(5-7-16)15(17)18/h8-9,13H,4-7H2,1-3H3,(H,17,18)

InChI Key:

FATKZWGFYLEZOB-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(cc1C)C

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.396g/mol

Monoisotopic Mass:

311.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2