1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

C12H24N2O2S — CID 64845620

IUPAC1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)CCN1CCNCC12CCCCC2
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)10-9-14-8-7-13-11-12(14)5-3-2-4-6-12/h13H,2-11H2,1H3
InChIKeyUQVLWNSWWMNTTD-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds3

About 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64845620) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64845620
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)CCN1CCNCC12CCCCC2
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)10-9-14-8-7-13-11-12(14)5-3-2-4-6-12/h13H,2-11H2,1H3
InChIKeyUQVLWNSWWMNTTD-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (CID 64845620) is 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is CS(=O)(=O)CCN1CCNCC12CCCCC2.
What is the InChIKey of 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is UQVLWNSWWMNTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17(15,16)10-9-14-8-7-13-11-12(14)5-3-2-4-6-12/h13H,2-11H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 260.40 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64845620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).