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

C17H23FN2O2S — CID 134373986

IUPAC[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(S(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H23FN2O2S/c1-19-9-6-13(7-10-19)17(21)20-11-8-16(12-20)23(22)15-4-2-14(18)3-5-15/h2-5,13,16H,6-12H2,1H3
InChIKeyTUNGCHGNDVRJRV-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.88
Rot. Bonds3

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

[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 134373986) has the molecular formula C17H23FN2O2S and a molecular weight of 338.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID134373986
Molecular FormulaC17H23FN2O2S
Molecular Weight338.45 g/mol
Exact Mass338.15
IUPAC Name[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCC(S(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H23FN2O2S/c1-19-9-6-13(7-10-19)17(21)20-11-8-16(12-20)23(22)15-4-2-14(18)3-5-15/h2-5,13,16H,6-12H2,1H3
InChIKeyTUNGCHGNDVRJRV-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 134373986) is [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCC(S(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is TUNGCHGNDVRJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S/c1-19-9-6-13(7-10-19)17(21)20-11-8-16(12-20)23(22)15-4-2-14(18)3-5-15/h2-5,13,16H,6-12H2,1H3.
What are the key properties of [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfinylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 134373986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).