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

C8H14F3N3O3S — CID 54903787

IUPAC1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O3S/c1-13(18(16,17)8(9,10)11)6-7(15)14-4-2-12-3-5-14/h12H,2-6H2,1H3
InChIKeyAKKCIUZVJZVULK-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.80
Rot. Bonds3

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

1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 54903787) has the molecular formula C8H14F3N3O3S and a molecular weight of 289.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID54903787
Molecular FormulaC8H14F3N3O3S
Molecular Weight289.28 g/mol
Exact Mass289.07
IUPAC Name1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCN(CC(=O)N1CCNCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3N3O3S/c1-13(18(16,17)8(9,10)11)6-7(15)14-4-2-12-3-5-14/h12H,2-6H2,1H3
InChIKeyAKKCIUZVJZVULK-UHFFFAOYSA-N
XLogP-0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide (CID 54903787) is 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is CN(CC(=O)N1CCNCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is AKKCIUZVJZVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3S/c1-13(18(16,17)8(9,10)11)6-7(15)14-4-2-12-3-5-14/h12H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 289.28 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 54903787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).