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

C15H30N2S — CID 113466942

IUPAC3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CC(C)SC
InChIInChI=1S/C15H30N2S/c1-4-14-10-16-15(8-6-5-7-9-15)12-17(14)11-13(2)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyVFYNMRPTDWSFJU-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.12
Rot. Bonds4

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

3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 113466942) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
PubChem CID113466942
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CNC2(CCCCC2)CN1CC(C)SC
InChIInChI=1S/C15H30N2S/c1-4-14-10-16-15(8-6-5-7-9-15)12-17(14)11-13(2)18-3/h13-14,16H,4-12H2,1-3H3
InChIKeyVFYNMRPTDWSFJU-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane (CID 113466942) is 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane is CCC1CNC2(CCCCC2)CN1CC(C)SC.
What is the InChIKey of 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is VFYNMRPTDWSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-14-10-16-15(8-6-5-7-9-15)12-17(14)11-13(2)18-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 270.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 113466942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).