2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide

C14H19FN2S — CID 84748959

IUPAC2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide
SMILESCC1CCN(C(C(N)=S)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2S/c1-10-6-8-17(9-7-10)13(14(16)18)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H2,16,18)
InChIKeyRGZXZFBOCHQKSD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide

2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide (PubChem CID 84748959) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide
PubChem CID84748959
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide
SMILESCC1CCN(C(C(N)=S)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2S/c1-10-6-8-17(9-7-10)13(14(16)18)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H2,16,18)
InChIKeyRGZXZFBOCHQKSD-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide (CID 84748959) is 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide is CC1CCN(C(C(N)=S)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide?
The InChIKey is RGZXZFBOCHQKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-10-6-8-17(9-7-10)13(14(16)18)11-2-4-12(15)5-3-11/h2-5,10,13H,6-9H2,1H3,(H2,16,18).
What are the key properties of 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide?
2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide has a molecular weight of 266.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanethioamide is sourced from PubChem (CID 84748959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).