2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride

C9H18ClNO2S — CID 155487187

IUPAC2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCCC2(CCCNC2)C1
InChIInChI=1S/C9H17NO2S.ClH/c11-13(12)6-2-4-9(8-13)3-1-5-10-7-9;/h10H,1-8H2;1H
InChIKeyIEEVKWFSNACVOV-UHFFFAOYSA-N
MW239.77 g/mol
LogP0.99
Rot. Bonds

About 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride

2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride (PubChem CID 155487187) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride.

Molecular Properties

Compound Name2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride
PubChem CID155487187
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCCC2(CCCNC2)C1
InChIInChI=1S/C9H17NO2S.ClH/c11-13(12)6-2-4-9(8-13)3-1-5-10-7-9;/h10H,1-8H2;1H
InChIKeyIEEVKWFSNACVOV-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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Frequently Asked Questions

What is the IUPAC name of 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride?
The IUPAC name of 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride (CID 155487187) is 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride.
What is the SMILES notation for 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride?
The canonical SMILES for 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride is Cl.O=S1(=O)CCCC2(CCCNC2)C1.
What is the InChIKey of 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride?
The InChIKey is IEEVKWFSNACVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.ClH/c11-13(12)6-2-4-9(8-13)3-1-5-10-7-9;/h10H,1-8H2;1H.
What are the key properties of 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride?
2λ6-thia-8-azaspiro[5.5]undecane 2,2-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 2λ6-thia-8-azaspiro[5.5]undecane 2,2-dioxide;hydrochloride is sourced from PubChem (CID 155487187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).