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

C9H18ClNO2S — CID 119031871

IUPAC3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CCNCC2)CC1
InChIInChI=1S/C9H17NO2S.ClH/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9;/h10H,1-8H2;1H
InChIKeyHAVVBWKKKAPLMZ-UHFFFAOYSA-N
MW239.77 g/mol
LogP0.99
Rot. Bonds

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

3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride (PubChem CID 119031871) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride.

Molecular Properties

Compound Name3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride
PubChem CID119031871
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CCNCC2)CC1
InChIInChI=1S/C9H17NO2S.ClH/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9;/h10H,1-8H2;1H
InChIKeyHAVVBWKKKAPLMZ-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 72716333
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CID 137346554
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CID 137935311
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CID 155819959
CID 155819959

Frequently Asked Questions

What is the IUPAC name of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride?
The IUPAC name of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride (CID 119031871) is 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride.
What is the SMILES notation for 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride?
The canonical SMILES for 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride is Cl.O=S1(=O)CCC2(CCNCC2)CC1.
What is the InChIKey of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride?
The InChIKey is HAVVBWKKKAPLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.ClH/c11-13(12)7-3-9(4-8-13)1-5-10-6-2-9;/h10H,1-8H2;1H.
What are the key properties of 3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride?
3λ6-thia-9-azaspiro[5.5]undecane 3,3-dioxide;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 0.99, 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;hydrochloride is sourced from PubChem (CID 119031871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).