3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione

C24H34FNO5S — CID 147666390

IUPAC3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
SMILESCC(C)(CS(=O)(=O)CCCCCC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C24H34FNO5S/c1-24(2,19-10-11-20(25)21(14-19)31-15-17-7-8-17)16-32(29,30)13-5-3-4-6-18-9-12-22(27)26-23(18)28/h10-11,14,17-18H,3-9,12-13,15-16H2,1-2H3,(H,26,27,28)
InChIKeyGMJRDUHULJTBHK-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.92
Rot. Bonds12

About 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione

3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione (PubChem CID 147666390) has the molecular formula C24H34FNO5S and a molecular weight of 467.60 g/mol. Its IUPAC name is 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
PubChem CID147666390
Molecular FormulaC24H34FNO5S
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC Name3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
SMILESCC(C)(CS(=O)(=O)CCCCCC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C24H34FNO5S/c1-24(2,19-10-11-20(25)21(14-19)31-15-17-7-8-17)16-32(29,30)13-5-3-4-6-18-9-12-22(27)26-23(18)28/h10-11,14,17-18H,3-9,12-13,15-16H2,1-2H3,(H,26,27,28)
InChIKeyGMJRDUHULJTBHK-UHFFFAOYSA-N
XLogP3.92
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.92
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-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione (CID 147666390) is 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione is CC(C)(CS(=O)(=O)CCCCCC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione?
The InChIKey is GMJRDUHULJTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO5S/c1-24(2,19-10-11-20(25)21(14-19)31-15-17-7-8-17)16-32(29,30)13-5-3-4-6-18-9-12-22(27)26-23(18)28/h10-11,14,17-18H,3-9,12-13,15-16H2,1-2H3,(H,26,27,28).
What are the key properties of 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione?
3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione has a molecular weight of 467.60 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione is sourced from PubChem (CID 147666390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).