1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone

C14H17F3N2O3S — CID 86992922

IUPAC1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone
SMILESCC1CCCCN1C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O3S/c1-10-4-2-3-7-19(10)13(20)9-23(21,22)12-6-5-11(8-18-12)14(15,16)17/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyZFTQTAFRUGKKLG-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone

1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone (PubChem CID 86992922) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone
PubChem CID86992922
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone
SMILESCC1CCCCN1C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O3S/c1-10-4-2-3-7-19(10)13(20)9-23(21,22)12-6-5-11(8-18-12)14(15,16)17/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyZFTQTAFRUGKKLG-UHFFFAOYSA-N
XLogP2.28
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone (CID 86992922) is 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone is CC1CCCCN1C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone?
The InChIKey is ZFTQTAFRUGKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-10-4-2-3-7-19(10)13(20)9-23(21,22)12-6-5-11(8-18-12)14(15,16)17/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone has a molecular weight of 350.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone is sourced from PubChem (CID 86992922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).