2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone

C13H16FNOS — CID 39965229

IUPAC2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccccc1F)N1CCCCC1
InChIInChI=1S/C13H16FNOS/c14-11-6-2-3-7-12(11)17-10-13(16)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2
InChIKeyMAYFARCKTXYJQQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone

2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 39965229) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID39965229
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccccc1F)N1CCCCC1
InChIInChI=1S/C13H16FNOS/c14-11-6-2-3-7-12(11)17-10-13(16)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2
InChIKeyMAYFARCKTXYJQQ-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone (CID 39965229) is 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone is O=C(CSc1ccccc1F)N1CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is MAYFARCKTXYJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c14-11-6-2-3-7-12(11)17-10-13(16)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 253.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 39965229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).