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(1R,5S,7S)-4-acetyl-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]decane-3,3-dione

(1R,5S,7S)-4-acetyl-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]decane-3,3-dione

CAS: 150448-66-1

Formula: C12H19NO3S

SMILES: CC(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C

IUPAC: (1R,5S,7S)-4-acetyl-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]decane-3,3-dione

InChI: InChI=1S/C12H19NO3S/c1-8(14)13-10-6-9-4-5-12(10,11(9,2)3)7-17(13,15)16/h9-10H,4-7H2,1-3H3/t9-,10-,12?/m0/s1

Composition: C (56.01%), H (7.44%), N (5.44%), O (18.65%), S (12.46%)

Molar Mass: 257.35

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 257.10856465
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FECARJHVTMSYSJ-HVFQMFNGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.22
Topological Polar Surface Area 54.45
Polarizability 26.08
Ring Count 3
Rotatable Bond Count 0

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