2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C14H19FN2O2S — CID 43390973

IUPAC2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccccc1F)N1CCN(CCO)CC1
InChIInChI=1S/C14H19FN2O2S/c15-12-3-1-2-4-13(12)20-11-14(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-11H2
InChIKeyQKQXGWOCWKFJSQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.05
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 43390973) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID43390973
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ccccc1F)N1CCN(CCO)CC1
InChIInChI=1S/C14H19FN2O2S/c15-12-3-1-2-4-13(12)20-11-14(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-11H2
InChIKeyQKQXGWOCWKFJSQ-UHFFFAOYSA-N
XLogP1.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenylthioacetic acid, morpholide
CID 532039
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol;hydrochloride
CID 6603494
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
2-[(4-Fluorophenyl)sulfinyl]-1-(4-morpholinyl)ethanone
CID 3347399
2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468301
Ethyl 4-(2-phenylthioacetyl)piperazinecarboxylate
CID 675022
2-[4-(2-Phenylsulfanylethyl)piperazin-1-yl]ethanol
CID 588768
Acetic acid, ((p-fluorophenyl)thio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
CID 24832486
3-Phenylsulfanyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505203
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 51072649
N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 798143

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 43390973) is 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CSc1ccccc1F)N1CCN(CCO)CC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is QKQXGWOCWKFJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-12-3-1-2-4-13(12)20-11-14(19)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-11H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 298.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).