3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

C16H32N2O2S — CID 64878214

IUPAC3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1(CC)CNC2(CCCCC2)CN1CCS(C)(=O)=O
InChIInChI=1S/C16H32N2O2S/c1-4-16(5-2)13-17-15(9-7-6-8-10-15)14-18(16)11-12-21(3,19)20/h17H,4-14H2,1-3H3
InChIKeyZUPHYNSFTJOXOE-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.20
Rot. Bonds5

About 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64878214) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64878214
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1(CC)CNC2(CCCCC2)CN1CCS(C)(=O)=O
InChIInChI=1S/C16H32N2O2S/c1-4-16(5-2)13-17-15(9-7-6-8-10-15)14-18(16)11-12-21(3,19)20/h17H,4-14H2,1-3H3
InChIKeyZUPHYNSFTJOXOE-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-5,5-dimethyl-1-(2-methylsulfonylethyl)piperazine
CID 64843827
3,3-diethyl-4-pentyl-1,4-diazaspiro[5.5]undecane
CID 64877638
3,3-diethyl-4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64878022
4-(2,2-difluoroethyl)-3,3-diethyl-1,4-diazaspiro[5.5]undecane
CID 64876676
2,2-diethyl-1-(2-ethylsulfonylethyl)-5,5-dimethylpiperazine
CID 106732956
8,8-diethyl-9-(2-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64878169
2,2,5,5-tetraethyl-1-(2-ethylsulfonylethyl)piperazine
CID 106733258
8,8-diethyl-9-(oxolan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877784
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64844749
8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877786
8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 80697005

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (CID 64878214) is 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is CCC1(CC)CNC2(CCCCC2)CN1CCS(C)(=O)=O.
What is the InChIKey of 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZUPHYNSFTJOXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-16(5-2)13-17-15(9-7-6-8-10-15)14-18(16)11-12-21(3,19)20/h17H,4-14H2,1-3H3.
What are the key properties of 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 316.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).