N-(3-acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide

N-(3-acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide

Formula: C16H20N2O3S

SMILES: CC(=O)C1=CC(NC(=S)N2CCC3(CC2)OCCO3)=CC=C1

IUPAC: N-(3-acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide

InChI: InChI=1S/C16H20N2O3S/c1-12(19)13-3-2-4-14(11-13)17-15(22)18-7-5-16(6-8-18)20-9-10-21-16/h2-4,11H,5-10H2,1H3,(H,17,22)

Composition: C (59.98%), H (6.29%), N (8.74%), O (14.98%), S (10.01%)

Molar Mass: 320.41

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.119463686
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CSOPRUFJVWVARN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.68
Topological Polar Surface Area	50.8
Polarizability	34.43
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00