1-(4-methylphenyl)-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid

1-(4-methylphenyl)-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid

Formula: C17H17NO3S

SMILES: CC1=CC=C(C=C1)N1C(C(CCC1=O)C(O)=O)C1=CC=CS1

IUPAC: 1-(4-methylphenyl)-6-oxo-2-(thiophen-2-yl)piperidine-3-carboxylic acid

InChI: InChI=1/C17H17NO3S/c1-11-4-6-12(7-5-11)18-15(19)9-8-13(17(20)21)16(18)14-3-2-10-22-14/h2-7,10,13,16H,8-9H2,1H3,(H,20,21)

Composition: C (64.74%), H (5.43%), N (4.44%), O (15.22%), S (10.17%)

Molar Mass: 315.39

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	315.092914585
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KIQDHOPFZJKODK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.83
Topological Polar Surface Area	57.61
Polarizability	32.39
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H17NO3S		Quote Only