2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C8H14F3N3O3S — CID 114810112

IUPAC2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCC1C(=O)NCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O3S/c1-2-6-7(15)12-3-4-14(6)18(16,17)13-5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,15)
InChIKeyVRJVYEJPANDZHE-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.41
Rot. Bonds4

About 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114810112) has the molecular formula C8H14F3N3O3S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114810112
Molecular FormulaC8H14F3N3O3S
Molecular Weight289.28 g/mol
Exact Mass289.07
IUPAC Name2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCC1C(=O)NCCN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O3S/c1-2-6-7(15)12-3-4-14(6)18(16,17)13-5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,15)
InChIKeyVRJVYEJPANDZHE-UHFFFAOYSA-N
XLogP-0.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114810112) is 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CCC1C(=O)NCCN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is VRJVYEJPANDZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3S/c1-2-6-7(15)12-3-4-14(6)18(16,17)13-5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,15).
What are the key properties of 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 289.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114810112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).