1-(benzenesulfinyl)-3-fluoropiperidine

C11H14FNOS — CID 68779902

IUPAC1-(benzenesulfinyl)-3-fluoropiperidine
SMILESO=S(c1ccccc1)N1CCCC(F)C1
InChIInChI=1S/C11H14FNOS/c12-10-5-4-8-13(9-10)15(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyYUYOYPFUBIFIJF-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.14
Rot. Bonds2

About 1-(benzenesulfinyl)-3-fluoropiperidine

1-(benzenesulfinyl)-3-fluoropiperidine (PubChem CID 68779902) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-3-fluoropiperidine.

Molecular Properties

Compound Name1-(benzenesulfinyl)-3-fluoropiperidine
PubChem CID68779902
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name1-(benzenesulfinyl)-3-fluoropiperidine
SMILESO=S(c1ccccc1)N1CCCC(F)C1
InChIInChI=1S/C11H14FNOS/c12-10-5-4-8-13(9-10)15(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyYUYOYPFUBIFIJF-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(benzenesulfinyl)azetidin-3-ol
CID 131137863
1-(benzenesulfinyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 143288729
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
1-(2-methylphenyl)sulfinylpiperidine-3-carboxylic acid
CID 69368656
1-[1-(benzenesulfinyl)pyrrolidin-2-yl]ethanol
CID 170587785
ethane;2-methylpropane;1-(4-propan-2-ylphenyl)sulfinylpiperidin-3-ol
CID 156877679
(3-fluorocyclohexyl) benzenesulfinate
CID 68780735
1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine
CID 164656274
3-fluoro-1-methylsulfinylpyrrolidine;methanamine
CID 167493542
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
1-[1-(benzenesulfinyl)piperidin-3-yl]-3-benzyl-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
CID 143725207
N-[[1-(benzenesulfinyl)piperidin-3-yl]methyl]-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine
CID 135244567

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-3-fluoropiperidine?
The IUPAC name of 1-(benzenesulfinyl)-3-fluoropiperidine (CID 68779902) is 1-(benzenesulfinyl)-3-fluoropiperidine.
What is the SMILES notation for 1-(benzenesulfinyl)-3-fluoropiperidine?
The canonical SMILES for 1-(benzenesulfinyl)-3-fluoropiperidine is O=S(c1ccccc1)N1CCCC(F)C1.
What is the InChIKey of 1-(benzenesulfinyl)-3-fluoropiperidine?
The InChIKey is YUYOYPFUBIFIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-10-5-4-8-13(9-10)15(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 1-(benzenesulfinyl)-3-fluoropiperidine?
1-(benzenesulfinyl)-3-fluoropiperidine has a molecular weight of 227.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-3-fluoropiperidine is sourced from PubChem (CID 68779902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).