3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione

C24H36FNO5S — CID 161227719

IUPAC3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCC1CCC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)C)c1
InChIInChI=1S/C24H36FNO5S/c1-17(19-9-11-20(25)21(14-19)31-16-24(2,3)4)15-32(29,30)13-7-5-6-8-18-10-12-22(27)26-23(18)28/h9,11,14,17-18H,5-8,10,12-13,15-16H2,1-4H3,(H,26,27,28)/t17-,18?/m0/s1
InChIKeyUYIOSCMJBXOWGO-ZENAZSQFSA-N
MW469.62 g/mol
LogP4.38
Rot. Bonds11

About 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione

3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione (PubChem CID 161227719) has the molecular formula C24H36FNO5S and a molecular weight of 469.62 g/mol. Its IUPAC name is 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione
PubChem CID161227719
Molecular FormulaC24H36FNO5S
Molecular Weight469.62 g/mol
Exact Mass469.23
IUPAC Name3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCC1CCC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)C)c1
InChIInChI=1S/C24H36FNO5S/c1-17(19-9-11-20(25)21(14-19)31-16-24(2,3)4)15-32(29,30)13-7-5-6-8-18-10-12-22(27)26-23(18)28/h9,11,14,17-18H,5-8,10,12-13,15-16H2,1-4H3,(H,26,27,28)/t17-,18?/m0/s1
InChIKeyUYIOSCMJBXOWGO-ZENAZSQFSA-N
XLogP4.38
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione (CID 161227719) is 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione is C[C@@H](CS(=O)(=O)CCCCCC1CCC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)C)c1.
What is the InChIKey of 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione?
The InChIKey is UYIOSCMJBXOWGO-ZENAZSQFSA-N. The full InChI is InChI=1S/C24H36FNO5S/c1-17(19-9-11-20(25)21(14-19)31-16-24(2,3)4)15-32(29,30)13-7-5-6-8-18-10-12-22(27)26-23(18)28/h9,11,14,17-18H,5-8,10,12-13,15-16H2,1-4H3,(H,26,27,28)/t17-,18?/m0/s1.
What are the key properties of 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione?
3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione has a molecular weight of 469.62 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione is sourced from PubChem (CID 161227719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).