3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

C15H30N2O2S — CID 106733186

IUPAC3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CCS(=O)(=O)CC
InChIInChI=1S/C15H30N2O2S/c1-3-14-12-16-15(8-6-5-7-9-15)13-17(14)10-11-20(18,19)4-2/h14,16H,3-13H2,1-2H3
InChIKeyDMXJJIHAGZJSSA-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds5

About 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane

3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 106733186) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID106733186
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CCS(=O)(=O)CC
InChIInChI=1S/C15H30N2O2S/c1-3-14-12-16-15(8-6-5-7-9-15)13-17(14)10-11-20(18,19)4-2/h14,16H,3-13H2,1-2H3
InChIKeyDMXJJIHAGZJSSA-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
8-ethyl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64878514
4-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)-N,N-dimethylbutan-1-amine
CID 64945821
10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 106733398
3-ethyl-4-[(1-methylpiperidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64946723
8-ethyl-9-(3-propoxypropyl)-6,9-diazaspiro[4.5]decane
CID 82947690
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
CID 113466942
8-ethyl-9-[3-(2-methoxyethoxy)propyl]-6,9-diazaspiro[4.5]decane
CID 103414318
4-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 64939473
2,5,5-triethyl-1-(2-methylsulfonylethyl)piperazine
CID 64861002
8-ethyl-9-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877745
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (CID 106733186) is 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1CCS(=O)(=O)CC.
What is the InChIKey of 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is DMXJJIHAGZJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-3-14-12-16-15(8-6-5-7-9-15)13-17(14)10-11-20(18,19)4-2/h14,16H,3-13H2,1-2H3.
What are the key properties of 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 302.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106733186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).