2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide

C5H10N2O8S4 — CID 160564321

IUPAC2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide
SMILESO=S1(=O)CC2(CS(=O)(=O)N1)CS(=O)(=O)NS(=O)(=O)C2
InChIInChI=1S/C5H10N2O8S4/c8-16(9)1-5(2-17(10,11)6-16)3-18(12,13)7-19(14,15)4-5/h6-7H,1-4H2
InChIKeySIJRHRJCCUJFPR-UHFFFAOYSA-N
MW354.41 g/mol
LogP-3.50
Rot. Bonds

About 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide

2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide (PubChem CID 160564321) has the molecular formula C5H10N2O8S4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide.

Molecular Properties

Compound Name2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide
PubChem CID160564321
Molecular FormulaC5H10N2O8S4
Molecular Weight354.41 g/mol
Exact Mass353.93
IUPAC Name2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide
SMILESO=S1(=O)CC2(CS(=O)(=O)N1)CS(=O)(=O)NS(=O)(=O)C2
InChIInChI=1S/C5H10N2O8S4/c8-16(9)1-5(2-17(10,11)6-16)3-18(12,13)7-19(14,15)4-5/h6-7H,1-4H2
InChIKeySIJRHRJCCUJFPR-UHFFFAOYSA-N
XLogP-3.50
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-3.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide?
The IUPAC name of 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide (CID 160564321) is 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide.
What is the SMILES notation for 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide?
The canonical SMILES for 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide is O=S1(=O)CC2(CS(=O)(=O)N1)CS(=O)(=O)NS(=O)(=O)C2.
What is the InChIKey of 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide?
The InChIKey is SIJRHRJCCUJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O8S4/c8-16(9)1-5(2-17(10,11)6-16)3-18(12,13)7-19(14,15)4-5/h6-7H,1-4H2.
What are the key properties of 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide?
2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide has a molecular weight of 354.41 g/mol, XLogP of -3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2λ6,4λ6,8λ6,10λ6-tetrathia-3,9-diazaspiro[5.5]undecane 2,2,4,4,8,8,10,10-octaoxide is sourced from PubChem (CID 160564321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).