1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C18H23FN2O3S — CID 134373709

IUPAC1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(S(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H23FN2O3S/c1-13(22)20-9-6-14(7-10-20)18(23)21-11-8-17(12-21)25(24)16-4-2-15(19)3-5-16/h2-5,14,17H,6-12H2,1H3
InChIKeyYHJBPJOQRKMXSR-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.79
Rot. Bonds3

About 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 134373709) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID134373709
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(S(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H23FN2O3S/c1-13(22)20-9-6-14(7-10-20)18(23)21-11-8-17(12-21)25(24)16-4-2-15(19)3-5-16/h2-5,14,17H,6-12H2,1H3
InChIKeyYHJBPJOQRKMXSR-UHFFFAOYSA-N
XLogP1.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 134373709) is 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(S(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is YHJBPJOQRKMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-13(22)20-9-6-14(7-10-20)18(23)21-11-8-17(12-21)25(24)16-4-2-15(19)3-5-16/h2-5,14,17H,6-12H2,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 366.46 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134373709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).