2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

C17H18FNOS2 — CID 71786879

IUPAC2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H18FNOS2/c18-14-3-5-15(6-4-14)22-12-17(20)19-9-7-13(8-10-19)16-2-1-11-21-16/h1-6,11,13H,7-10,12H2
InChIKeyGRVIBSJKDCTPFB-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (PubChem CID 71786879) has the molecular formula C17H18FNOS2 and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
PubChem CID71786879
Molecular FormulaC17H18FNOS2
Molecular Weight335.47 g/mol
Exact Mass335.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H18FNOS2/c18-14-3-5-15(6-4-14)22-12-17(20)19-9-7-13(8-10-19)16-2-1-11-21-16/h1-6,11,13H,7-10,12H2
InChIKeyGRVIBSJKDCTPFB-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (CID 71786879) is 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is O=C(CSc1ccc(F)cc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The InChIKey is GRVIBSJKDCTPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS2/c18-14-3-5-15(6-4-14)22-12-17(20)19-9-7-13(8-10-19)16-2-1-11-21-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone has a molecular weight of 335.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71786879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).