N-[(1S,2R,4R)-bicyclo[2.2.1]heptan-2-yl]-3-[(4-methylphenyl)sulfanyl]propanamide

N-[(1S,2R,4R)-bicyclo[2.2.1]heptan-2-yl]-3-[(4-methylphenyl)sulfanyl]propanamide

Formula: C17H23NOS

SMILES: CC1=CC=C(SCCC(=O)N[C@@H]2C[C@@H]3CC[C@H]2C3)C=C1

IUPAC: N-[(1S,2R,4R)-bicyclo[2.2.1]heptan-2-yl]-3-[(4-methylphenyl)sulfanyl]propanamide

InChI: InChI=1S/C17H23NOS/c1-12-2-6-15(7-3-12)20-9-8-17(19)18-16-11-13-4-5-14(16)10-13/h2-3,6-7,13-14,16H,4-5,8-11H2,1H3,(H,18,19)/t13-,14+,16-/m1/s1

Composition: C (70.55%), H (8.01%), N (4.84%), O (5.53%), S (11.08%)

Molar Mass: 289.44

Atom Count: 43

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	289.150035539
Formal Charge	0
FSP3	0.59
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	ZUJNREYWFOHQDP-IJEWVQPXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.04
Topological Polar Surface Area	29.1
Polarizability	33.31
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H23NOS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00