tert-butyl 4-{[(3-cyanopyridin-2-yl)sulfanyl]methyl}piperidine-1-carboxylate

tert-butyl 4-{[(3-cyanopyridin-2-yl)sulfanyl]methyl}piperidine-1-carboxylate

Formula: C17H23N3O2S

SMILES: CC(C)(C)OC(=O)N1CCC(CSC2=C(C=CC=N2)C#N)CC1

IUPAC: tert-butyl 4-{[(3-cyanopyridin-2-yl)sulfanyl]methyl}piperidine-1-carboxylate

InChI: InChI=1S/C17H23N3O2S/c1-17(2,3)22-16(21)20-9-6-13(7-10-20)12-23-15-14(11-18)5-4-8-19-15/h4-5,8,13H,6-7,9-10,12H2,1-3H3

Composition: C (61.23%), H (6.95%), N (12.60%), O (9.60%), S (9.61%)

Molar Mass: 333.45

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	333.151098167
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OYBWNNUKXGROBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.71
Topological Polar Surface Area	66.22
Polarizability	35.76
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H23N3O2S		Quote Only