1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide

C7H12F3N3O3S — CID 60896021

IUPAC1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H12F3N3O3S/c8-7(9,10)17(15,16)12-5-6(14)13-3-1-11-2-4-13/h11-12H,1-5H2
InChIKeyLXRYBHFFGAOSNS-UHFFFAOYSA-N
MW275.25 g/mol
LogP-1.14
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 60896021) has the molecular formula C7H12F3N3O3S and a molecular weight of 275.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID60896021
Molecular FormulaC7H12F3N3O3S
Molecular Weight275.25 g/mol
Exact Mass275.06
IUPAC Name1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=C(CNS(=O)(=O)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H12F3N3O3S/c8-7(9,10)17(15,16)12-5-6(14)13-3-1-11-2-4-13/h11-12H,1-5H2
InChIKeyLXRYBHFFGAOSNS-UHFFFAOYSA-N
XLogP-1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (CID 60896021) is 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is O=C(CNS(=O)(=O)C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is LXRYBHFFGAOSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3S/c8-7(9,10)17(15,16)12-5-6(14)13-3-1-11-2-4-13/h11-12H,1-5H2.
What are the key properties of 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 275.25 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 60896021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).