N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

C11H21F3N2S — CID 114187811

IUPACN,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCSC(F)(F)F)C(C)C1C
InChIInChI=1S/C11H21F3N2S/c1-8-9(2)16(5-4-10(8)15-3)6-7-17-11(12,13)14/h8-10,15H,4-7H2,1-3H3
InChIKeyIFYKRCLEJHSXEM-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.56
Rot. Bonds4

About N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine

N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 114187811) has the molecular formula C11H21F3N2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID114187811
Molecular FormulaC11H21F3N2S
Molecular Weight270.36 g/mol
Exact Mass270.14
IUPAC NameN,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCNC1CCN(CCSC(F)(F)F)C(C)C1C
InChIInChI=1S/C11H21F3N2S/c1-8-9(2)16(5-4-10(8)15-3)6-7-17-11(12,13)14/h8-10,15H,4-7H2,1-3H3
InChIKeyIFYKRCLEJHSXEM-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 114187811) is N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CNC1CCN(CCSC(F)(F)F)C(C)C1C.
What is the InChIKey of N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is IFYKRCLEJHSXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2S/c1-8-9(2)16(5-4-10(8)15-3)6-7-17-11(12,13)14/h8-10,15H,4-7H2,1-3H3.
What are the key properties of N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 114187811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).