1-(benzenesulfonyl)piperidine-3-carboxylic acid

1-(benzenesulfonyl)piperidine-3-carboxylic acid

CAS: 321970-54-1

Formula: C12H15NO4S

SMILES: OC(=O)C1CCCN(C1)S(=O)(=O)C1=CC=CC=C1

IUPAC: 1-(benzenesulfonyl)piperidine-3-carboxylic acid

InChI: InChI=1/C12H15NO4S/c14-12(15)10-5-4-8-13(9-10)18(16,17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,15)

Composition: C (53.52%), H (5.61%), N (5.20%), O (23.76%), S (11.90%)

Molar Mass: 269.32

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.072179141
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JKVDTLWEIJKWGT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.24
Topological Polar Surface Area	74.68
Polarizability	26.5
Ring Count	2
Rotatable Bond Count	2

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Life Chemicals USA, Inc.

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OTAVA LTD.

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Kinentia Biosciences LLC

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Crea-Chim UAB

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