6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

C13H25NO2S — CID 138605230

IUPAC6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESCN1CCC2(CC1CC(C)(C)C)CS(=O)(=O)C2
InChIInChI=1S/C13H25NO2S/c1-12(2,3)7-11-8-13(5-6-14(11)4)9-17(15,16)10-13/h11H,5-10H2,1-4H3
InChIKeyPISIOTOOFZZZOB-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.93
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide

6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (PubChem CID 138605230) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
PubChem CID138605230
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide
SMILESCN1CCC2(CC1CC(C)(C)C)CS(=O)(=O)C2
InChIInChI=1S/C13H25NO2S/c1-12(2,3)7-11-8-13(5-6-14(11)4)9-17(15,16)10-13/h11H,5-10H2,1-4H3
InChIKeyPISIOTOOFZZZOB-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The IUPAC name of 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide (CID 138605230) is 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The canonical SMILES for 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is CN1CCC2(CC1CC(C)(C)C)CS(=O)(=O)C2.
What is the InChIKey of 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
The InChIKey is PISIOTOOFZZZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-12(2,3)7-11-8-13(5-6-14(11)4)9-17(15,16)10-13/h11H,5-10H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide?
6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide has a molecular weight of 259.41 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-7-methyl-2λ6-thia-7-azaspiro[3.5]nonane 2,2-dioxide is sourced from PubChem (CID 138605230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).