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tert-butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate

tert-butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate

CAS: 1272412-70-0

Formula: C10H17NO2S

SMILES: CC(C)(C)OC(=O)N1CC2(CSC2)C1

IUPAC: tert-butyl 2-thia-6-azaspiro[3.3]heptane-6-carboxylate

InChI: InChI=1S/C10H17NO2S/c1-9(2,3)13-8(12)11-4-10(5-11)6-14-7-10/h4-7H2,1-3H3

Composition: C (55.78%), H (7.96%), N (6.51%), O (14.86%), S (14.89%)

Molar Mass: 215.31

Atom Count: 31

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 215.097999965
Formal Charge 0
FSP3 0.9
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LTBYDCPCBXIEFT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.36
Topological Polar Surface Area 29.54
Polarizability 22.67
Ring Count 2
Rotatable Bond Count 2

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