7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride

C7H14ClNO2S — CID 138039718

IUPAC7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CC1)CNC2
InChIInChI=1S/C7H13NO2S.ClH/c9-11(10)3-1-7(2-4-11)5-8-6-7;/h8H,1-6H2;1H
InChIKeyMMBFEXCDKIQSDF-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.21
Rot. Bonds

About 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride

7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride (PubChem CID 138039718) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride.

Molecular Properties

Compound Name7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride
PubChem CID138039718
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CC1)CNC2
InChIInChI=1S/C7H13NO2S.ClH/c9-11(10)3-1-7(2-4-11)5-8-6-7;/h8H,1-6H2;1H
InChIKeyMMBFEXCDKIQSDF-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 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride?
The IUPAC name of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride (CID 138039718) is 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride.
What is the SMILES notation for 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride?
The canonical SMILES for 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride is Cl.O=S1(=O)CCC2(CC1)CNC2.
What is the InChIKey of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride?
The InChIKey is MMBFEXCDKIQSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.ClH/c9-11(10)3-1-7(2-4-11)5-8-6-7;/h8H,1-6H2;1H.
What are the key properties of 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride?
7λ6-thia-2-azaspiro[3.5]nonane 7,7-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 7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;hydrochloride is sourced from PubChem (CID 138039718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).