[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone

C16H21FN2O3S — CID 134373652

IUPAC[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCCC(O)C1)N1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3S/c17-12-3-5-14(6-4-12)23(22)15-7-9-19(11-15)16(21)18-8-1-2-13(20)10-18/h3-6,13,15,20H,1-2,7-11H2
InChIKeyBAHWHXVEROPHGO-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.58
Rot. Bonds2

About [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone

[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 134373652) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID134373652
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCCC(O)C1)N1CCC(S(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3S/c17-12-3-5-14(6-4-12)23(22)15-7-9-19(11-15)16(21)18-8-1-2-13(20)10-18/h3-6,13,15,20H,1-2,7-11H2
InChIKeyBAHWHXVEROPHGO-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 134373745
[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 134373768
1-[(2S)-4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 134373851
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 134373985
4-[3-(4-Fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperazine-1-carbaldehyde
CID 134374085
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 134374379
[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-[(3S)-3-(hydroxymethyl)piperazin-1-yl]methanone
CID 134374389
[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]-[(2R)-2-(hydroxymethyl)morpholin-4-yl]methanone
CID 134374391
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134374402
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134374406
[3-(4-Fluorophenyl)sulfinylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 134374428
(3,4-Dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 134374430

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone (CID 134373652) is [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone is O=C(N1CCCC(O)C1)N1CCC(S(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is BAHWHXVEROPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-12-3-5-14(6-4-12)23(22)15-7-9-19(11-15)16(21)18-8-1-2-13(20)10-18/h3-6,13,15,20H,1-2,7-11H2.
What are the key properties of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone?
[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 134373652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).