(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide

C9H17NO2S — CID 124505621

IUPAC(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide
SMILESO=S1(=O)CCC[C@]2(CCCCN2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)7-3-5-9(8-13)4-1-2-6-10-9/h10H,1-8H2/t9-/m1/s1
InChIKeyZWBOZCNQTBOOSI-SECBINFHSA-N
MW203.31 g/mol
LogP0.71
Rot. Bonds

About (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide

(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide (PubChem CID 124505621) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide.

Molecular Properties

Compound Name(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide
PubChem CID124505621
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide
SMILESO=S1(=O)CCC[C@]2(CCCCN2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)7-3-5-9(8-13)4-1-2-6-10-9/h10H,1-8H2/t9-/m1/s1
InChIKeyZWBOZCNQTBOOSI-SECBINFHSA-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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Related Compounds

(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
CID 124509913
8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide;hydrochloride
CID 138040668
(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
CID 124509901
8,8-dioxo-8λ6-thia-1-azaspiro[3.5]nonan-2-one
CID 64665977
4-azaspiro[2.5]octane
CID 20522183
1-azaspiro[4.5]decane
CID 9092
2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride
CID 155487187
2,2-difluoro-5-azaspiro[3.5]nonane
CID 155892857
3,7-diazaspiro[5.6]dodecane
CID 22975640
2-thia-5-azaspiro[3.5]nonane
CID 82417840
9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
CID 115025157
3-ethyl-1,1-dioxothian-3-ol
CID 83683380

Frequently Asked Questions

What is the IUPAC name of (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide?
The IUPAC name of (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide (CID 124505621) is (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide.
What is the SMILES notation for (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide?
The canonical SMILES for (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide is O=S1(=O)CCC[C@]2(CCCCN2)C1.
What is the InChIKey of (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide?
The InChIKey is ZWBOZCNQTBOOSI-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)7-3-5-9(8-13)4-1-2-6-10-9/h10H,1-8H2/t9-/m1/s1.
What are the key properties of (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide?
(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-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 (6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide is sourced from PubChem (CID 124505621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).