1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide

C9H17NO2S — CID 71755714

IUPAC1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide
SMILESO=S1(=O)CCNCC12CCCCC2
InChIInChI=1S/C9H17NO2S/c11-13(12)7-6-10-8-9(13)4-2-1-3-5-9/h10H,1-8H2
InChIKeyYOMJMEVABFAKSW-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.71
Rot. Bonds

About 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide

1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide (PubChem CID 71755714) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide.

Molecular Properties

Compound Name1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide
PubChem CID71755714
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide
SMILESO=S1(=O)CCNCC12CCCCC2
InChIInChI=1S/C9H17NO2S/c11-13(12)7-6-10-8-9(13)4-2-1-3-5-9/h10H,1-8H2
InChIKeyYOMJMEVABFAKSW-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide?
The IUPAC name of 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide (CID 71755714) is 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide.
What is the SMILES notation for 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide?
The canonical SMILES for 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide is O=S1(=O)CCNCC12CCCCC2.
What is the InChIKey of 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide?
The InChIKey is YOMJMEVABFAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)7-6-10-8-9(13)4-2-1-3-5-9/h10H,1-8H2.
What are the key properties of 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide?
1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ6-thia-4-azaspiro[5.5]undecane 1,1-dioxide is sourced from PubChem (CID 71755714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).