1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride

C7H14ClNO2S — CID 155819959

IUPAC1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC12CCNCC2
InChIInChI=1S/C7H13NO2S.ClH/c9-11(10)6-3-7(11)1-4-8-5-2-7;/h8H,1-6H2;1H
InChIKeyLEYYFFDMKXEPOW-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.35
Rot. Bonds

About 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride

1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride (PubChem CID 155819959) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride.

Molecular Properties

Compound Name1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride
PubChem CID155819959
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC12CCNCC2
InChIInChI=1S/C7H13NO2S.ClH/c9-11(10)6-3-7(11)1-4-8-5-2-7;/h8H,1-6H2;1H
InChIKeyLEYYFFDMKXEPOW-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride?
The IUPAC name of 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride (CID 155819959) is 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride.
What is the SMILES notation for 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride?
The canonical SMILES for 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride is Cl.O=S1(=O)CCC12CCNCC2.
What is the InChIKey of 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride?
The InChIKey is LEYYFFDMKXEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.ClH/c9-11(10)6-3-7(11)1-4-8-5-2-7;/h8H,1-6H2;1H.
What are the key properties of 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride?
1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride has a molecular weight of 211.71 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ6-thia-7-azaspiro[3.5]nonane 1,1-dioxide;hydrochloride is sourced from PubChem (CID 155819959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).