10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane

C14H25F3N2S — CID 116627590

IUPAC10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-12-5-8-18-13(6-3-2-4-7-13)11-19(12)9-10-20-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyXILHECXKIOTQSY-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.63
Rot. Bonds3

About 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane

10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 116627590) has the molecular formula C14H25F3N2S and a molecular weight of 310.43 g/mol. Its IUPAC name is 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID116627590
Molecular FormulaC14H25F3N2S
Molecular Weight310.43 g/mol
Exact Mass310.17
IUPAC Name10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1CCSC(F)(F)F
InChIInChI=1S/C14H25F3N2S/c1-12-5-8-18-13(6-3-2-4-7-13)11-19(12)9-10-20-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyXILHECXKIOTQSY-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 113474602
11-(2,2-difluoroethyl)-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64871559
10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 106733398
10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
CID 64869383
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
CID 106733400
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
9-methyl-10-[2-(2-methylpropoxy)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106458879
9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
CID 114014155

Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane (CID 116627590) is 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane is CC1CCNC2(CCCCC2)CN1CCSC(F)(F)F.
What is the InChIKey of 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is XILHECXKIOTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2S/c1-12-5-8-18-13(6-3-2-4-7-13)11-19(12)9-10-20-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane?
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 310.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 116627590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).