2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

C6H11NO2S — CID 97354707

IUPAC2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESO=S1(=O)CC2(CCNC2)C1
InChIInChI=1S/C6H11NO2S/c8-10(9)4-6(5-10)1-2-7-3-6/h7H,1-5H2
InChIKeyXPXUEUZFGJHRTK-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.61
Rot. Bonds

About 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide

2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (PubChem CID 97354707) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.

Molecular Properties

Compound Name2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
PubChem CID97354707
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
SMILESO=S1(=O)CC2(CCNC2)C1
InChIInChI=1S/C6H11NO2S/c8-10(9)4-6(5-10)1-2-7-3-6/h7H,1-5H2
InChIKeyXPXUEUZFGJHRTK-UHFFFAOYSA-N
XLogP-0.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The IUPAC name of 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide (CID 97354707) is 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide.
What is the SMILES notation for 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The canonical SMILES for 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is O=S1(=O)CC2(CCNC2)C1.
What is the InChIKey of 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
The InChIKey is XPXUEUZFGJHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-10(9)4-6(5-10)1-2-7-3-6/h7H,1-5H2.
What are the key properties of 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide?
2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide is sourced from PubChem (CID 97354707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).