Name: Name:1-phenylmethanesulfonylpiperidine-3-carboxylic acid
Brand: Angene
SKU: AG01ABJT
Rating: 90 (10 reviews)

1-phenylmethanesulfonylpiperidine-3-carboxylic acid

CAS No.:

891392-82-8

Catalog Number:

AG01ABJT

Molecular Formula:

C13H17NO4S

Molecular Weight:

283.3434

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Product Description

Catalog Number:

AG01ABJT

Chemical Name:

1-phenylmethanesulfonylpiperidine-3-carboxylic acid

CAS Number:

891392-82-8

Molecular Formula:

C13H17NO4S

Molecular Weight:

283.3434

MDL Number:

MFCD09045709

IUPAC Name:

1-benzylsulfonylpiperidine-3-carboxylic acid

InChI:

InChI=1S/C13H17NO4S/c15-13(16)12-7-4-8-14(9-12)19(17,18)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)

InChI Key:

MOYULDUQFKHJBM-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN(C1)S(=O)(=O)Cc1ccccc1

Properties

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.342g/mol

Monoisotopic Mass:

283.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501