1-methylsulfonyl-1,8-diazaspiro[5.5]undecane

C10H20N2O2S — CID 121229647

IUPAC1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCCCC12CCCNC2
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-5-10(12)6-4-7-11-9-10/h11H,2-9H2,1H3
InChIKeyLZNSRSXXAHGXPY-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.55
Rot. Bonds1

About 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane

1-methylsulfonyl-1,8-diazaspiro[5.5]undecane (PubChem CID 121229647) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
PubChem CID121229647
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCCCC12CCCNC2
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-5-10(12)6-4-7-11-9-10/h11H,2-9H2,1H3
InChIKeyLZNSRSXXAHGXPY-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The IUPAC name of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane (CID 121229647) is 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane is CS(=O)(=O)N1CCCCC12CCCNC2.
What is the InChIKey of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The InChIKey is LZNSRSXXAHGXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-5-10(12)6-4-7-11-9-10/h11H,2-9H2,1H3.
What are the key properties of 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
1-methylsulfonyl-1,8-diazaspiro[5.5]undecane has a molecular weight of 232.35 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 121229647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).