8-methylsulfonyl-2-azaspiro[4.4]nonane

C9H17NO2S — CID 156625104

IUPAC8-methylsulfonyl-2-azaspiro[4.4]nonane
SMILESCS(=O)(=O)C1CCC2(CCNC2)C1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)8-2-3-9(6-8)4-5-10-7-9/h8,10H,2-7H2,1H3
InChIKeyNYMBVZMMBAHZJX-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds1

About 8-methylsulfonyl-2-azaspiro[4.4]nonane

8-methylsulfonyl-2-azaspiro[4.4]nonane (PubChem CID 156625104) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 8-methylsulfonyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name8-methylsulfonyl-2-azaspiro[4.4]nonane
PubChem CID156625104
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name8-methylsulfonyl-2-azaspiro[4.4]nonane
SMILESCS(=O)(=O)C1CCC2(CCNC2)C1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)8-2-3-9(6-8)4-5-10-7-9/h8,10H,2-7H2,1H3
InChIKeyNYMBVZMMBAHZJX-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-2-azaspiro[4.4]nonane?
The IUPAC name of 8-methylsulfonyl-2-azaspiro[4.4]nonane (CID 156625104) is 8-methylsulfonyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 8-methylsulfonyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 8-methylsulfonyl-2-azaspiro[4.4]nonane is CS(=O)(=O)C1CCC2(CCNC2)C1.
What is the InChIKey of 8-methylsulfonyl-2-azaspiro[4.4]nonane?
The InChIKey is NYMBVZMMBAHZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)8-2-3-9(6-8)4-5-10-7-9/h8,10H,2-7H2,1H3.
What are the key properties of 8-methylsulfonyl-2-azaspiro[4.4]nonane?
8-methylsulfonyl-2-azaspiro[4.4]nonane has a molecular weight of 203.31 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 156625104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).