Name: Name:1-(4-methoxybenzenesulfonyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG00IQ9Z
Rating: 90 (10 reviews)

1-(4-methoxybenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:

385398-15-2

Catalog Number:

AG00IQ9Z

Molecular Formula:

C13H17NO5S

Molecular Weight:

299.3428

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Product Description

Catalog Number:

AG00IQ9Z

Chemical Name:

1-(4-methoxybenzenesulfonyl)piperidine-4-carboxylic acid

CAS Number:

385398-15-2

Molecular Formula:

C13H17NO5S

Molecular Weight:

299.3428

MDL Number:

MFCD02331441

IUPAC Name:

1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C13H17NO5S/c1-19-11-2-4-12(5-3-11)20(17,18)14-8-6-10(7-9-14)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)

InChI Key:

XCSWWTGQHOOLAE-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)O

Properties

Complexity:

428

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.341g/mol

Monoisotopic Mass:

299.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties