9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane

C11H22N2O2S — CID 166713434

IUPAC9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C11H22N2O2S/c1-12-8-5-11(6-9-12)4-3-7-13(10-11)16(2,14)15/h3-10H2,1-2H3
InChIKeyXSSIHKIPJZLEIF-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds1

About 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane

9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane (PubChem CID 166713434) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
PubChem CID166713434
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C11H22N2O2S/c1-12-8-5-11(6-9-12)4-3-7-13(10-11)16(2,14)15/h3-10H2,1-2H3
InChIKeyXSSIHKIPJZLEIF-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane (CID 166713434) is 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane is CN1CCC2(CCCN(S(C)(=O)=O)C2)CC1.
What is the InChIKey of 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is XSSIHKIPJZLEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-12-8-5-11(6-9-12)4-3-7-13(10-11)16(2,14)15/h3-10H2,1-2H3.
What are the key properties of 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane?
9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 246.38 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 166713434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).