5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

C11H13F3N2O3S — CID 61274290

IUPAC5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c[nH]1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8-2-1-5-16(7-8)20(18,19)9-3-4-10(17)15-6-9/h3-4,6,8H,1-2,5,7H2,(H,15,17)
InChIKeyVYZSKMMJCZHWFV-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.34
Rot. Bonds2

About 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 61274290) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID61274290
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c[nH]1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8-2-1-5-16(7-8)20(18,19)9-3-4-10(17)15-6-9/h3-4,6,8H,1-2,5,7H2,(H,15,17)
InChIKeyVYZSKMMJCZHWFV-UHFFFAOYSA-N
XLogP1.34
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 61274290) is 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c[nH]1.
What is the InChIKey of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is VYZSKMMJCZHWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)8-2-1-5-16(7-8)20(18,19)9-3-4-10(17)15-6-9/h3-4,6,8H,1-2,5,7H2,(H,15,17).
What are the key properties of 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 310.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 61274290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).