(1R,7S)-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]dec-4-ene-3,3-dione

(1R,7S)-10,10-dimethyl-3??-thia-4-azatricyclo[5.2.1.0¹,?]dec-4-ene-3,3-dione

CAS: 107869-45-4

Formula: C10H15NO2S

SMILES: CC1(C)[C@H]2CC[C@@]11CS(=O)(=O)N=C1C2

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

InChI: InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3/t7-,10-/m0/s1

Composition: C (56.31%), H (7.09%), N (6.57%), O (15.00%), S (15.03%)

Molar Mass: 213.3

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	213.082349901
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZAHOEBNYVSWBBW-XVKPBYJWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.15
Topological Polar Surface Area	46.5
Polarizability	21.89
Ring Count	3
Rotatable Bond Count	0

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