2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine

C9H18F3N3O2S — CID 63004732

IUPAC2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine
SMILESCS(=O)(=O)N1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-18(16,17)15-6-4-14(5-7-15)3-2-13-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyRFALPPCXIVANMI-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.28
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine (PubChem CID 63004732) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine
PubChem CID63004732
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine
SMILESCS(=O)(=O)N1CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O2S/c1-18(16,17)15-6-4-14(5-7-15)3-2-13-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyRFALPPCXIVANMI-UHFFFAOYSA-N
XLogP-0.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine (CID 63004732) is 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine is CS(=O)(=O)N1CCN(CCNCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine?
The InChIKey is RFALPPCXIVANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-18(16,17)15-6-4-14(5-7-15)3-2-13-8-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine has a molecular weight of 289.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 63004732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).