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

C15H27F3N2S — CID 116627505

IUPAC3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CN(CCSC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-3-13(2)12-20(9-10-21-15(16,17)18)14(11-19-13)7-5-4-6-8-14/h19H,3-12H2,1-2H3
InChIKeyVIRFMSCFIJSBCG-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.02
Rot. Bonds4

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

3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 116627505) has the molecular formula C15H27F3N2S and a molecular weight of 324.46 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID116627505
Molecular FormulaC15H27F3N2S
Molecular Weight324.46 g/mol
Exact Mass324.18
IUPAC Name3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCCC1(C)CN(CCSC(F)(F)F)C2(CCCCC2)CN1
InChIInChI=1S/C15H27F3N2S/c1-3-13(2)12-20(9-10-21-15(16,17)18)14(11-19-13)7-5-4-6-8-14/h19H,3-12H2,1-2H3
InChIKeyVIRFMSCFIJSBCG-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-6-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 81114319
8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 116627516
8-ethyl-6,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64875613
8-ethyl-6-[2-(2-methoxyethoxy)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878493
8-ethyl-6-[3-(2-methoxyethoxy)propyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 103414307
3-ethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055869
3-ethyl-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055867
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
5-ethyl-2,2,5-trimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848330
3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458595
15-(2-fluoroethyl)-7,15-diazadispiro[4.2.58.25]pentadecane
CID 80696436
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane (CID 116627505) is 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane is CCC1(C)CN(CCSC(F)(F)F)C2(CCCCC2)CN1.
What is the InChIKey of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is VIRFMSCFIJSBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2S/c1-3-13(2)12-20(9-10-21-15(16,17)18)14(11-19-13)7-5-4-6-8-14/h19H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane?
3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 324.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 116627505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).