N-{2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-cyclohexylmethanesulfonamide

N-{2-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}-N-cyclohexylmethanesulfonamide

Formula: C21H31N3O5S

SMILES: CS(=O)(=O)N(CC(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1)C1CCCCC1

IUPAC: N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-N-cyclohexylmethanesulfonamide

InChI: InChI=1S/C21H31N3O5S/c1-30(26,27)24(18-5-3-2-4-6-18)15-21(25)23-11-9-22(10-12-23)14-17-7-8-19-20(13-17)29-16-28-19/h7-8,13,18H,2-6,9-12,14-16H2,1H3

Composition: C (57.65%), H (7.14%), N (9.60%), O (18.28%), S (7.33%)

Molar Mass: 437.56

Atom Count: 61

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	437.198442284
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	FZBFDVYQRFLKAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113
Topological Polar Surface Area	79.39
Polarizability	45.21
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H31N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00