N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2OS — CID 114627355

IUPACN-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C11H19F3N2OS/c1-2-16(8-11(12,13)14)10(17)7-18-9-3-5-15-6-4-9/h9,15H,2-8H2,1H3
InChIKeyFLOMARGJMSGTPO-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114627355) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114627355
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC NameN-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C11H19F3N2OS/c1-2-16(8-11(12,13)14)10(17)7-18-9-3-5-15-6-4-9/h9,15H,2-8H2,1H3
InChIKeyFLOMARGJMSGTPO-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 114627355) is N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CSC1CCNCC1.
What is the InChIKey of N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FLOMARGJMSGTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-2-16(8-11(12,13)14)10(17)7-18-9-3-5-15-6-4-9/h9,15H,2-8H2,1H3.
What are the key properties of N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 284.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114627355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).