2-[1-(ethanesulfonyl)piperidin-4-ylidene]acetonitrile

2-[1-(ethanesulfonyl)piperidin-4-ylidene]acetonitrile

CAS: 2102412-13-3

Formula: C9H14N2O2S

SMILES: CCS(=O)(=O)N1CCC(CC1)=CC#N

IUPAC: 2-[1-(ethanesulfonyl)piperidin-4-ylidene]acetonitrile

InChI: InChI=1S/C9H14N2O2S/c1-2-14(12,13)11-7-4-9(3-6-10)5-8-11/h3H,2,4-5,7-8H2,1H3

Composition: C (50.45%), H (6.59%), N (13.07%), O (14.93%), S (14.96%)

Molar Mass: 214.28

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	214.077598873
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZGXFKWBJRHIDHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.5
Topological Polar Surface Area	61.17
Polarizability	21.53
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2102412-13-3		$175.28-$182.85$175.28$182.85