N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H27F3N2S — CID 103787184

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCC(CC)(CNC1CCN(CC(F)(F)F)CC1)SC
InChIInChI=1S/C14H27F3N2S/c1-4-13(5-2,20-3)10-18-12-6-8-19(9-7-12)11-14(15,16)17/h12,18H,4-11H2,1-3H3
InChIKeyRRHHUUOBBNRBOK-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.52
Rot. Bonds7

About N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103787184) has the molecular formula C14H27F3N2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103787184
Molecular FormulaC14H27F3N2S
Molecular Weight312.44 g/mol
Exact Mass312.18
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCC(CC)(CNC1CCN(CC(F)(F)F)CC1)SC
InChIInChI=1S/C14H27F3N2S/c1-4-13(5-2,20-3)10-18-12-6-8-19(9-7-12)11-14(15,16)17/h12,18H,4-11H2,1-3H3
InChIKeyRRHHUUOBBNRBOK-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
(4S)-3,3-difluoro-N-methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 166682652
Ethane;3-fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine
CID 176942308
3-Fluoro-5-methyl-2-(trifluoromethylsulfanyl)piperidin-4-amine;propane
CID 176943216
N-(2-methylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63980758
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
N-(3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63983391
[1-(2,2-Difluoroethyl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 65988942
[4-Methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
CID 65988955
[4-Methylsulfanyl-1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine
CID 65989765
3,3,3-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420561
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103787184) is N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CCC(CC)(CNC1CCN(CC(F)(F)F)CC1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is RRHHUUOBBNRBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2S/c1-4-13(5-2,20-3)10-18-12-6-8-19(9-7-12)11-14(15,16)17/h12,18H,4-11H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103787184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).