2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C11H20F3N3OS — CID 131917771

IUPAC2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESCCN1CCN(CC(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3OS/c1-2-16-4-6-17(7-5-16)9-10(18)15-3-8-19-11(12,13)14/h2-9H2,1H3,(H,15,18)
InChIKeyJNNPAMRNMDVAPU-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.99
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 131917771) has the molecular formula C11H20F3N3OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID131917771
Molecular FormulaC11H20F3N3OS
Molecular Weight299.36 g/mol
Exact Mass299.13
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESCCN1CCN(CC(=O)NCCSC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3OS/c1-2-16-4-6-17(7-5-16)9-10(18)15-3-8-19-11(12,13)14/h2-9H2,1H3,(H,15,18)
InChIKeyJNNPAMRNMDVAPU-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 131917771) is 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is CCN1CCN(CC(=O)NCCSC(F)(F)F)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is JNNPAMRNMDVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3OS/c1-2-16-4-6-17(7-5-16)9-10(18)15-3-8-19-11(12,13)14/h2-9H2,1H3,(H,15,18).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 131917771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).