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

C16H30N2O2S — CID 106733303

IUPAC3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCS(=O)(=O)CCN1CC(C2CC2)NCC12CCCCC2
InChIInChI=1S/C16H30N2O2S/c1-2-21(19,20)11-10-18-12-15(14-6-7-14)17-13-16(18)8-4-3-5-9-16/h14-15,17H,2-13H2,1H3
InChIKeySVMMTUXZRGPCPV-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.81
Rot. Bonds5

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

3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 106733303) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID106733303
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCS(=O)(=O)CCN1CC(C2CC2)NCC12CCCCC2
InChIInChI=1S/C16H30N2O2S/c1-2-21(19,20)11-10-18-12-15(14-6-7-14)17-13-16(18)8-4-3-5-9-16/h14-15,17H,2-13H2,1H3
InChIKeySVMMTUXZRGPCPV-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylsulfonylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 106732813
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64861723
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
5-cyclopropyl-2-ethyl-2-methyl-1-(2-propylsulfonylethyl)piperazine
CID 106733294
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64860926
3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107056138
3-methyl-1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64844749
3-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 65170538
8-cyclopropyl-6-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64859965
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
CID 106733011
5-cyclopropyl-2,2-dimethyl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106733291

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane (CID 106733303) is 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is CCS(=O)(=O)CCN1CC(C2CC2)NCC12CCCCC2.
What is the InChIKey of 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is SVMMTUXZRGPCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-2-21(19,20)11-10-18-12-15(14-6-7-14)17-13-16(18)8-4-3-5-9-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane?
3-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 314.50 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-cyclopropyl-1-(2-ethylsulfonylethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 106733303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).