2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride

C7H14ClNO2S — CID 134128321

IUPAC2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)CC2(CCCNC2)C1
InChIInChI=1S/C7H13NO2S.ClH/c9-11(10)5-7(6-11)2-1-3-8-4-7;/h8H,1-6H2;1H
InChIKeyOYRITEHMJMEIEA-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.21
Rot. Bonds

About 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride

2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride (PubChem CID 134128321) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride.

Molecular Properties

Compound Name2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride
PubChem CID134128321
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride
SMILESCl.O=S1(=O)CC2(CCCNC2)C1
InChIInChI=1S/C7H13NO2S.ClH/c9-11(10)5-7(6-11)2-1-3-8-4-7;/h8H,1-6H2;1H
InChIKeyOYRITEHMJMEIEA-UHFFFAOYSA-N
XLogP0.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.21
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[3.5]nonane 2,2-dioxide;hydrochloride?
The IUPAC name of 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride (CID 134128321) is 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride.
What is the SMILES notation for 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride?
The canonical SMILES for 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride is Cl.O=S1(=O)CC2(CCCNC2)C1.
What is the InChIKey of 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride?
The InChIKey is OYRITEHMJMEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.ClH/c9-11(10)5-7(6-11)2-1-3-8-4-7;/h8H,1-6H2;1H.
What are the key properties of 2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride?
2λ6-thia-8-azaspiro[3.5]nonane 2,2-dioxide;hydrochloride has a molecular weight of 211.71 g/mol, XLogP of 0.21, 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[3.5]nonane 2,2-dioxide;hydrochloride is sourced from PubChem (CID 134128321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).