3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide

C9H17NO2S — CID 63156497

IUPAC3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide
SMILESO=S1(=O)CCC2(CCNCC2)CC1
InChIInChI=1S/C9H17NO2S/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9/h10H,1-8H2
InChIKeyZZMAUHMFQOKMRO-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds

About 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide

3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide (PubChem CID 63156497) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide.

Molecular Properties

Compound Name3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide
PubChem CID63156497
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide
SMILESO=S1(=O)CCC2(CCNCC2)CC1
InChIInChI=1S/C9H17NO2S/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9/h10H,1-8H2
InChIKeyZZMAUHMFQOKMRO-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide?
The IUPAC name of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide (CID 63156497) is 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide.
What is the SMILES notation for 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide?
The canonical SMILES for 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide is O=S1(=O)CCC2(CCNCC2)CC1.
What is the InChIKey of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide?
The InChIKey is ZZMAUHMFQOKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9/h10H,1-8H2.
What are the key properties of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide?
3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide is sourced from PubChem (CID 63156497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).