6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride

C6H12ClNO2S — CID 154733336

IUPAC6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CNC2)C1
InChIInChI=1S/C6H11NO2S.ClH/c8-10(9)2-1-6(5-10)3-7-4-6;/h7H,1-5H2;1H
InChIKeyXKOGRWUJMSXFKC-UHFFFAOYSA-N
MW197.69 g/mol
LogP-0.18
Rot. Bonds

About 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride

6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride (PubChem CID 154733336) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride.

Molecular Properties

Compound Name6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride
PubChem CID154733336
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride
SMILESCl.O=S1(=O)CCC2(CNC2)C1
InChIInChI=1S/C6H11NO2S.ClH/c8-10(9)2-1-6(5-10)3-7-4-6;/h7H,1-5H2;1H
InChIKeyXKOGRWUJMSXFKC-UHFFFAOYSA-N
XLogP-0.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride?
The IUPAC name of 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride (CID 154733336) is 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride.
What is the SMILES notation for 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride?
The canonical SMILES for 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride is Cl.O=S1(=O)CCC2(CNC2)C1.
What is the InChIKey of 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride?
The InChIKey is XKOGRWUJMSXFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c8-10(9)2-1-6(5-10)3-7-4-6;/h7H,1-5H2;1H.
What are the key properties of 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride?
6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6λ6-thia-2-azaspiro[3.4]octane 6,6-dioxide;hydrochloride is sourced from PubChem (CID 154733336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).