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

C12H21F3N2OS — CID 114626990

IUPAC2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C12H21F3N2OS/c1-2-7-17(9-12(13,14)15)11(18)8-19-10-3-5-16-6-4-10/h10,16H,2-9H2,1H3
InChIKeyHWGFMKALFDOWRO-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.27
Rot. Bonds6

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

2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114626990) has the molecular formula C12H21F3N2OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114626990
Molecular FormulaC12H21F3N2OS
Molecular Weight298.37 g/mol
Exact Mass298.13
IUPAC Name2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)CSC1CCNCC1
InChIInChI=1S/C12H21F3N2OS/c1-2-7-17(9-12(13,14)15)11(18)8-19-10-3-5-16-6-4-10/h10,16H,2-9H2,1H3
InChIKeyHWGFMKALFDOWRO-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 114626990) is 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)CSC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HWGFMKALFDOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2OS/c1-2-7-17(9-12(13,14)15)11(18)8-19-10-3-5-16-6-4-10/h10,16H,2-9H2,1H3.
What are the key properties of 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114626990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).