8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane

C14H25F3N2S — CID 116627516

IUPAC8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-3-12(2)10-18-13(6-4-5-7-13)11-19(12)8-9-20-14(15,16)17/h18H,3-11H2,1-2H3
InChIKeyIFUXROSUJKQOHW-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.63
Rot. Bonds4

About 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane

8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 116627516) has the molecular formula C14H25F3N2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID116627516
Molecular FormulaC14H25F3N2S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC Name8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1(C)CNC2(CCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-3-12(2)10-18-13(6-4-5-7-13)11-19(12)8-9-20-14(15,16)17/h18H,3-11H2,1-2H3
InChIKeyIFUXROSUJKQOHW-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-9-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 80697005
3-ethyl-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane
CID 115943654
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458732
3-ethyl-3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 116627505
8-ethyl-9-(2-methoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 113383044
3-ethyl-3-methyl-4-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055949
9-[(4-chlorophenyl)methyl]-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64878549
8-ethyl-9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877973
8-ethyl-9-[(4-iodophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65489382
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590
8-ethyl-8-methyl-9-[(6-methyl-2-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 79263913
9-cyclohexyl-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 82937208

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane (CID 116627516) is 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane is CCC1(C)CNC2(CCCC2)CN1CCSC(F)(F)F.
What is the InChIKey of 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is IFUXROSUJKQOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2S/c1-3-12(2)10-18-13(6-4-5-7-13)11-19(12)8-9-20-14(15,16)17/h18H,3-11H2,1-2H3.
What are the key properties of 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane?
8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 310.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-methyl-9-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 116627516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).