5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide

C15H29NO2S — CID 138605207

IUPAC5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide
SMILESCC(C)(C)CC1CCC2(CS(=O)(=O)C2)N1C(C)(C)C
InChIInChI=1S/C15H29NO2S/c1-13(2,3)9-12-7-8-15(10-19(17,18)11-15)16(12)14(4,5)6/h12H,7-11H2,1-6H3
InChIKeyWLQUHXLXJSBGTM-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.85
Rot. Bonds1

About 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide

5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide (PubChem CID 138605207) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide
PubChem CID138605207
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide
SMILESCC(C)(C)CC1CCC2(CS(=O)(=O)C2)N1C(C)(C)C
InChIInChI=1S/C15H29NO2S/c1-13(2,3)9-12-7-8-15(10-19(17,18)11-15)16(12)14(4,5)6/h12H,7-11H2,1-6H3
InChIKeyWLQUHXLXJSBGTM-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide (CID 138605207) is 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide is CC(C)(C)CC1CCC2(CS(=O)(=O)C2)N1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide?
The InChIKey is WLQUHXLXJSBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-13(2,3)9-12-7-8-15(10-19(17,18)11-15)16(12)14(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide?
5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide has a molecular weight of 287.47 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-(2,2-dimethylpropyl)-2λ6-thia-5-azaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 138605207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).