tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate

C12H22N2O4S — CID 139022736

IUPACtert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNS(=O)(=O)C2
InChIInChI=1S/C12H22N2O4S/c1-11(2,3)18-10(15)14-6-4-12(5-7-14)8-13-19(16,17)9-12/h13H,4-9H2,1-3H3
InChIKeyZPDHIPOWAHMJLI-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.94
Rot. Bonds

About tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 139022736) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID139022736
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Nametert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CNS(=O)(=O)C2
InChIInChI=1S/C12H22N2O4S/c1-11(2,3)18-10(15)14-6-4-12(5-7-14)8-13-19(16,17)9-12/h13H,4-9H2,1-3H3
InChIKeyZPDHIPOWAHMJLI-UHFFFAOYSA-N
XLogP0.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 139022736) is tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CNS(=O)(=O)C2.
What is the InChIKey of tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZPDHIPOWAHMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-11(2,3)18-10(15)14-6-4-12(5-7-14)8-13-19(16,17)9-12/h13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 290.38 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dioxo-2λ6-thia-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 139022736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).