7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane

C8H15NO2S2 — CID 12691872

IUPAC7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
SMILESCS(=O)(=O)N1CCC2(CCSC2)C1
InChIInChI=1S/C8H15NO2S2/c1-13(10,11)9-4-2-8(6-9)3-5-12-7-8/h2-7H2,1H3
InChIKeyHBKOFJRXYHQZLG-UHFFFAOYSA-N
MW221.35 g/mol
LogP0.77
Rot. Bonds1

About 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane

7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane (PubChem CID 12691872) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
PubChem CID12691872
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC Name7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
SMILESCS(=O)(=O)N1CCC2(CCSC2)C1
InChIInChI=1S/C8H15NO2S2/c1-13(10,11)9-4-2-8(6-9)3-5-12-7-8/h2-7H2,1H3
InChIKeyHBKOFJRXYHQZLG-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane?
The IUPAC name of 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane (CID 12691872) is 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane is CS(=O)(=O)N1CCC2(CCSC2)C1.
What is the InChIKey of 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane?
The InChIKey is HBKOFJRXYHQZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-13(10,11)9-4-2-8(6-9)3-5-12-7-8/h2-7H2,1H3.
What are the key properties of 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane?
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane has a molecular weight of 221.35 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 12691872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).