1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid

C8H15F3N2O4S — CID 45074762

IUPAC1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c1-2-11(9,10)8-5-3-7-4-6-8;3-2(4,5)1(6)7/h7H,2-6H2,1H3;(H,6,7)
InChIKeyJZGXAOHNTPVOSF-UHFFFAOYSA-N
MW292.28 g/mol
LogP-0.13
Rot. Bonds2

About 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid

1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 45074762) has the molecular formula C8H15F3N2O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID45074762
Molecular FormulaC8H15F3N2O4S
Molecular Weight292.28 g/mol
Exact Mass292.07
IUPAC Name1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid
SMILESCCS(=O)(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O2S.C2HF3O2/c1-2-11(9,10)8-5-3-7-4-6-8;3-2(4,5)1(6)7/h7H,2-6H2,1H3;(H,6,7)
InChIKeyJZGXAOHNTPVOSF-UHFFFAOYSA-N
XLogP-0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid (CID 45074762) is 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid is CCS(=O)(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is JZGXAOHNTPVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.C2HF3O2/c1-2-11(9,10)8-5-3-7-4-6-8;3-2(4,5)1(6)7/h7H,2-6H2,1H3;(H,6,7).
What are the key properties of 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid?
1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 292.28 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 45074762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).