1-(10-octylsulfanyldecyl)piperidine-2,6-dione

C23H43NO2S — CID 21259946

IUPAC1-(10-octylsulfanyldecyl)piperidine-2,6-dione
SMILESCCCCCCCCSCCCCCCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C23H43NO2S/c1-2-3-4-5-11-14-20-27-21-15-12-9-7-6-8-10-13-19-24-22(25)17-16-18-23(24)26/h2-21H2,1H3
InChIKeyPCTOATUJXHKNJX-UHFFFAOYSA-N
MW397.67 g/mol
LogP6.74
Rot. Bonds18

About 1-(10-octylsulfanyldecyl)piperidine-2,6-dione

1-(10-octylsulfanyldecyl)piperidine-2,6-dione (PubChem CID 21259946) has the molecular formula C23H43NO2S and a molecular weight of 397.67 g/mol. Its IUPAC name is 1-(10-octylsulfanyldecyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(10-octylsulfanyldecyl)piperidine-2,6-dione
PubChem CID21259946
Molecular FormulaC23H43NO2S
Molecular Weight397.67 g/mol
Exact Mass397.30
IUPAC Name1-(10-octylsulfanyldecyl)piperidine-2,6-dione
SMILESCCCCCCCCSCCCCCCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C23H43NO2S/c1-2-3-4-5-11-14-20-27-21-15-12-9-7-6-8-10-13-19-24-22(25)17-16-18-23(24)26/h2-21H2,1H3
InChIKeyPCTOATUJXHKNJX-UHFFFAOYSA-N
XLogP6.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.67
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(10-octylsulfanyldecyl)piperidine-2,6-dione?
The IUPAC name of 1-(10-octylsulfanyldecyl)piperidine-2,6-dione (CID 21259946) is 1-(10-octylsulfanyldecyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(10-octylsulfanyldecyl)piperidine-2,6-dione?
The canonical SMILES for 1-(10-octylsulfanyldecyl)piperidine-2,6-dione is CCCCCCCCSCCCCCCCCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(10-octylsulfanyldecyl)piperidine-2,6-dione?
The InChIKey is PCTOATUJXHKNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO2S/c1-2-3-4-5-11-14-20-27-21-15-12-9-7-6-8-10-13-19-24-22(25)17-16-18-23(24)26/h2-21H2,1H3.
What are the key properties of 1-(10-octylsulfanyldecyl)piperidine-2,6-dione?
1-(10-octylsulfanyldecyl)piperidine-2,6-dione has a molecular weight of 397.67 g/mol, XLogP of 6.74, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-octylsulfanyldecyl)piperidine-2,6-dione is sourced from PubChem (CID 21259946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).