2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide

C11H17F3N2O4S — CID 138007109

IUPAC2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)CN1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O4S/c1-2-6-21(19,20)15-9(17)7-16-5-3-4-8(10(16)18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyUWXCNTRZMPMXRJ-UHFFFAOYSA-N
MW330.33 g/mol
LogP0.64
Rot. Bonds5

About 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide

2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide (PubChem CID 138007109) has the molecular formula C11H17F3N2O4S and a molecular weight of 330.33 g/mol. Its IUPAC name is 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide
PubChem CID138007109
Molecular FormulaC11H17F3N2O4S
Molecular Weight330.33 g/mol
Exact Mass330.09
IUPAC Name2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)CN1CCCC(C(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O4S/c1-2-6-21(19,20)15-9(17)7-16-5-3-4-8(10(16)18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyUWXCNTRZMPMXRJ-UHFFFAOYSA-N
XLogP0.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide?
The IUPAC name of 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide (CID 138007109) is 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide.
What is the SMILES notation for 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide?
The canonical SMILES for 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide is CCCS(=O)(=O)NC(=O)CN1CCCC(C(F)(F)F)C1=O.
What is the InChIKey of 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide?
The InChIKey is UWXCNTRZMPMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4S/c1-2-6-21(19,20)15-9(17)7-16-5-3-4-8(10(16)18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide?
2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide has a molecular weight of 330.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(trifluoromethyl)piperidin-1-yl]-N-propylsulfonylacetamide is sourced from PubChem (CID 138007109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).