2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone

C16H16FN3O2S — CID 90636191

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C16H16FN3O2S/c17-12-1-3-14(4-2-12)23-11-16(21)20-8-5-13(10-20)22-15-9-18-6-7-19-15/h1-4,6-7,9,13H,5,8,10-11H2
InChIKeyFRQQRNBERYGHGS-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.39
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone (PubChem CID 90636191) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
PubChem CID90636191
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C16H16FN3O2S/c17-12-1-3-14(4-2-12)23-11-16(21)20-8-5-13(10-20)22-15-9-18-6-7-19-15/h1-4,6-7,9,13H,5,8,10-11H2
InChIKeyFRQQRNBERYGHGS-UHFFFAOYSA-N
XLogP2.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639191
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
2-(4-fluorophenyl)sulfanyl-1-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]ethanone
CID 100739813
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-(4-propan-2-ylphenyl)-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636279
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636217
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
ethyl 2-oxo-2-(3-pyrazin-2-yloxypyrrolidin-1-yl)acetate
CID 90636072
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone (CID 90636191) is 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone is O=C(CSc1ccc(F)cc1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is FRQQRNBERYGHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c17-12-1-3-14(4-2-12)23-11-16(21)20-8-5-13(10-20)22-15-9-18-6-7-19-15/h1-4,6-7,9,13H,5,8,10-11H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 333.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90636191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).