6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide

C7H13NO2S — CID 84655353

IUPAC6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide
SMILESO=S1(=O)CCCC2(CNC2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)3-1-2-7(6-11)4-8-5-7/h8H,1-6H2
InChIKeyYYRGNGNPLKGJAQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.22
Rot. Bonds

About 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide

6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide (PubChem CID 84655353) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide.

Molecular Properties

Compound Name6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide
PubChem CID84655353
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide
SMILESO=S1(=O)CCCC2(CNC2)C1
InChIInChI=1S/C7H13NO2S/c9-11(10)3-1-2-7(6-11)4-8-5-7/h8H,1-6H2
InChIKeyYYRGNGNPLKGJAQ-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide?
The IUPAC name of 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide (CID 84655353) is 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide.
What is the SMILES notation for 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide?
The canonical SMILES for 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide is O=S1(=O)CCCC2(CNC2)C1.
What is the InChIKey of 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide?
The InChIKey is YYRGNGNPLKGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c9-11(10)3-1-2-7(6-11)4-8-5-7/h8H,1-6H2.
What are the key properties of 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide?
6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide has a molecular weight of 175.25 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6λ6-thia-2-azaspiro[3.5]nonane 6,6-dioxide is sourced from PubChem (CID 84655353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).