[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C17H23FN2O4S — CID 134374379

IUPAC[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(CO)C1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)16-7-9-20(11-16)17(22)19-8-1-2-13(10-19)12-21/h3-6,13,16,21H,1-2,7-12H2
InChIKeySQTCCHRFRVMZEJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.50
Rot. Bonds3

About [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 134374379) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID134374379
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(CO)C1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)16-7-9-20(11-16)17(22)19-8-1-2-13(10-19)12-21/h3-6,13,16,21H,1-2,7-12H2
InChIKeySQTCCHRFRVMZEJ-UHFFFAOYSA-N
XLogP1.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-Fluorophenyl)sulfinylpyrrolidin-1-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 134373652
1-[(3S)-3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 134373673
1-[3-(4-Fluorophenyl)sulfinylpyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 134373763
[(3S)-3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 134373768
1-[3-(4-Fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidine-4-carboxylic acid
CID 134373881
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 134373948
[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]-piperidin-1-ylmethanone
CID 134373985
2-[1-[3-(4-Fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
CID 134374335
[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
1-[3-(4-Fluorophenyl)sulfonylpyrrolidine-1-carbonyl]piperidine-4-carbaldehyde
CID 134374426
[3-(4-Fluorophenyl)sulfinylpyrrolidin-1-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 134374428

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 134374379) is [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(N1CCCC(CO)C1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SQTCCHRFRVMZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)16-7-9-20(11-16)17(22)19-8-1-2-13(10-19)12-21/h3-6,13,16,21H,1-2,7-12H2.
What are the key properties of [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 134374379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).