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

C25H47NO2S — CID 21260102

IUPAC1-(10-decylsulfanyldecyl)piperidine-2,6-dione
SMILESCCCCCCCCCCSCCCCCCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C25H47NO2S/c1-2-3-4-5-6-10-13-16-22-29-23-17-14-11-8-7-9-12-15-21-26-24(27)19-18-20-25(26)28/h2-23H2,1H3
InChIKeySMNCQSXFFAVHLY-UHFFFAOYSA-N
MW425.72 g/mol
LogP7.52
Rot. Bonds20

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

1-(10-decylsulfanyldecyl)piperidine-2,6-dione (PubChem CID 21260102) has the molecular formula C25H47NO2S and a molecular weight of 425.72 g/mol. Its IUPAC name is 1-(10-decylsulfanyldecyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(10-decylsulfanyldecyl)piperidine-2,6-dione
PubChem CID21260102
Molecular FormulaC25H47NO2S
Molecular Weight425.72 g/mol
Exact Mass425.33
IUPAC Name1-(10-decylsulfanyldecyl)piperidine-2,6-dione
SMILESCCCCCCCCCCSCCCCCCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C25H47NO2S/c1-2-3-4-5-6-10-13-16-22-29-23-17-14-11-8-7-9-12-15-21-26-24(27)19-18-20-25(26)28/h2-23H2,1H3
InChIKeySMNCQSXFFAVHLY-UHFFFAOYSA-N
XLogP7.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.72
LogP ≤ 57.52
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-decylsulfanyldecyl)piperidine-2,6-dione?
The IUPAC name of 1-(10-decylsulfanyldecyl)piperidine-2,6-dione (CID 21260102) is 1-(10-decylsulfanyldecyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(10-decylsulfanyldecyl)piperidine-2,6-dione?
The canonical SMILES for 1-(10-decylsulfanyldecyl)piperidine-2,6-dione is CCCCCCCCCCSCCCCCCCCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(10-decylsulfanyldecyl)piperidine-2,6-dione?
The InChIKey is SMNCQSXFFAVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO2S/c1-2-3-4-5-6-10-13-16-22-29-23-17-14-11-8-7-9-12-15-21-26-24(27)19-18-20-25(26)28/h2-23H2,1H3.
What are the key properties of 1-(10-decylsulfanyldecyl)piperidine-2,6-dione?
1-(10-decylsulfanyldecyl)piperidine-2,6-dione has a molecular weight of 425.72 g/mol, XLogP of 7.52, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-decylsulfanyldecyl)piperidine-2,6-dione is sourced from PubChem (CID 21260102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).