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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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).