3-methyl-1-(4-methylbenzenesulfonyl)piperidin-4-one

3-methyl-1-(4-methylbenzenesulfonyl)piperidin-4-one

Formula: C13H17NO3S

SMILES: CC1CN(CCC1=O)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 3-methyl-1-(4-methylbenzenesulfonyl)piperidin-4-one

InChI: InChI=1/C13H17NO3S/c1-10-3-5-12(6-4-10)18(16,17)14-8-7-13(15)11(2)9-14/h3-6,11H,7-9H2,1-2H3

Composition: C (58.41%), H (6.41%), N (5.24%), O (17.95%), S (11.99%)

Molar Mass: 267.34

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	267.092914585
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CEGLVGHCQTVTGP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.1
Topological Polar Surface Area	54.45
Polarizability	27.77
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H17NO3S		Quote Only