[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C17H23FN2O4S — CID 134373768

IUPAC[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)N2CC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H23FN2O4S/c1-17(22)7-10-19(11-8-17)16(21)20-9-6-15(12-20)25(23,24)14-4-2-13(18)3-5-14/h2-5,15,22H,6-12H2,1H3/t15-/m0/s1
InChIKeyFAAQLLYPEVWJNN-HNNXBMFYSA-N
MW370.45 g/mol
LogP1.64
Rot. Bonds2

About [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 134373768) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID134373768
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)N2CC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H23FN2O4S/c1-17(22)7-10-19(11-8-17)16(21)20-9-6-15(12-20)25(23,24)14-4-2-13(18)3-5-14/h2-5,15,22H,6-12H2,1H3/t15-/m0/s1
InChIKeyFAAQLLYPEVWJNN-HNNXBMFYSA-N
XLogP1.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 134373768) is [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)N2CC[C@H](S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is FAAQLLYPEVWJNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-17(22)7-10-19(11-8-17)16(21)20-9-6-15(12-20)25(23,24)14-4-2-13(18)3-5-14/h2-5,15,22H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 134373768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).