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

C12H23F3N2S — CID 114187810

IUPACN-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCSC(F)(F)F)C(C)C1C
InChIInChI=1S/C12H23F3N2S/c1-4-16-11-5-6-17(10(3)9(11)2)7-8-18-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyNKMSUOBRZKRGFC-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.95
Rot. Bonds5

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

N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (PubChem CID 114187810) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
PubChem CID114187810
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
SMILESCCNC1CCN(CCSC(F)(F)F)C(C)C1C
InChIInChI=1S/C12H23F3N2S/c1-4-16-11-5-6-17(10(3)9(11)2)7-8-18-12(13,14)15/h9-11,16H,4-8H2,1-3H3
InChIKeyNKMSUOBRZKRGFC-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine (CID 114187810) is N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is CCNC1CCN(CCSC(F)(F)F)C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
The InChIKey is NKMSUOBRZKRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-4-16-11-5-6-17(10(3)9(11)2)7-8-18-12(13,14)15/h9-11,16H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine?
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 114187810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).