Name: Name:1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylic acid
Brand: Angene
SKU: AG00IEDS
Rating: 90 (10 reviews)

1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylic acid

CAS No.:

871478-69-2

Catalog Number:

AG00IEDS

Molecular Formula:

C13H14N2O4S

Molecular Weight:

294.3263

Catalog Number:

AG00IEDS

Chemical Name:

1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylic acid

CAS Number:

871478-69-2

Molecular Formula:

C13H14N2O4S

Molecular Weight:

294.3263

MDL Number:

MFCD07348737

IUPAC Name:

1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylic acid

InChI:

InChI=1S/C13H14N2O4S/c16-13(17)9-4-3-7-15(8-9)12-10-5-1-2-6-11(10)20(18,19)14-12/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)

InChI Key:

JUEIREKJZGKLCH-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN(C1)C1=NS(=O)(=O)c2c1cccc2

Complexity:

537

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.325g/mol

Monoisotopic Mass:

294.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7