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2-[(3Z)-1-(ethanesulfonyl)piperidin-3-ylidene]acetonitrile

2-[(3Z)-1-(ethanesulfonyl)piperidin-3-ylidene]acetonitrile

CAS: 2102414-94-6

Formula: C9H14N2O2S

SMILES: CCS(=O)(=O)N1CCCC(C1)=CC#N

IUPAC: 2-[(3Z)-1-(ethanesulfonyl)piperidin-3-ylidene]acetonitrile

InChI: InChI=1S/C9H14N2O2S/c1-2-14(12,13)11-7-3-4-9(8-11)5-6-10/h5H,2-4,7-8H2,1H3/b9-5-

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 DZVKGVSLQFEBET-UITAMQMPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.34
Topological Polar Surface Area 61.17
Polarizability 21.53
Ring Count 1
Rotatable Bond Count 1

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97% <7 Days 2102414-94-6 $130.90-$742.39$130.90$153.34$214.12$288.92$742.39
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95% <5 Days 2102414-94-6 $175.28-$567.45$175.28$182.85$567.45
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