2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine

C7H14F3N3O2S — CID 158227282

IUPAC2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)16(14,15)13-5-3-12(2-1-11)4-6-13/h1-6,11H2
InChIKeyGDYHHVFSQCLLRD-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.59
Rot. Bonds3

About 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine

2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine (PubChem CID 158227282) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine
PubChem CID158227282
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)16(14,15)13-5-3-12(2-1-11)4-6-13/h1-6,11H2
InChIKeyGDYHHVFSQCLLRD-UHFFFAOYSA-N
XLogP-0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine (CID 158227282) is 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine is NCCN1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine?
The InChIKey is GDYHHVFSQCLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)16(14,15)13-5-3-12(2-1-11)4-6-13/h1-6,11H2.
What are the key properties of 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine?
2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine has a molecular weight of 261.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 158227282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).