2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone

C13H16FNOS — CID 19858420

IUPAC2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C13H16FNOS/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChIKeyQSYMLUULWLLJEZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.93
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone

2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 19858420) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID19858420
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C13H16FNOS/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChIKeyQSYMLUULWLLJEZ-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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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
4-[3-(Phenylthio)propanoyl]morpholine
CID 875838
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
2-[(4-Fluorophenyl)sulfanyl]-1-morpholino-1-ethanone
CID 1486398
2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468301
AC1Lgqzx
CID 875426
1-{[(4-Methylphenyl)sulfanyl]acetyl}piperidine
CID 879795
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
N-cyclohexyl-2-(phenylsulfanyl)acetamide
CID 875390
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
Piperidine, 1-(3-(phenylthio)propyl)-, monohydrochloride
CID 3038686

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone (CID 19858420) is 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone is O=C(CSc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is QSYMLUULWLLJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c14-11-4-6-12(7-5-11)17-10-13(16)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone?
2-(4-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-(4-fluorophenyl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 19858420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).