tert-butyl 3-(3-cyanobenzenesulfonyl)piperidine-1-carboxylate

tert-butyl 3-(3-cyanobenzenesulfonyl)piperidine-1-carboxylate

CAS: 887589-95-9

Formula: C17H22N2O4S

SMILES: CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)C1=CC(=CC=C1)C#N

IUPAC: tert-butyl 3-(3-cyanobenzenesulfonyl)piperidine-1-carboxylate

InChI: InChI=1/C17H22N2O4S/c1-17(2,3)23-16(20)19-9-5-8-15(12-19)24(21,22)14-7-4-6-13(10-14)11-18/h4,6-7,10,15H,5,8-9,12H2,1-3H3

Composition: C (58.27%), H (6.33%), N (7.99%), O (18.26%), S (9.15%)

Molar Mass: 350.43

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	350.13002837
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HTWOQLOVFJMCEU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.34
Topological Polar Surface Area	87.47
Polarizability	35.92
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887589-95-9		$2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00