1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione

C20H37NO2S — CID 21260080

IUPAC1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione
SMILESCCCCCC(CCCC)SCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C20H37NO2S/c1-3-5-8-13-18(12-6-4-2)24-17-10-7-9-16-21-19(22)14-11-15-20(21)23/h18H,3-17H2,1-2H3
InChIKeyBYKKXRSWSCZSAE-UHFFFAOYSA-N
MW355.59 g/mol
LogP5.57
Rot. Bonds14

About 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione

1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione (PubChem CID 21260080) has the molecular formula C20H37NO2S and a molecular weight of 355.59 g/mol. Its IUPAC name is 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione
PubChem CID21260080
Molecular FormulaC20H37NO2S
Molecular Weight355.59 g/mol
Exact Mass355.25
IUPAC Name1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione
SMILESCCCCCC(CCCC)SCCCCCN1C(=O)CCCC1=O
InChIInChI=1S/C20H37NO2S/c1-3-5-8-13-18(12-6-4-2)24-17-10-7-9-16-21-19(22)14-11-15-20(21)23/h18H,3-17H2,1-2H3
InChIKeyBYKKXRSWSCZSAE-UHFFFAOYSA-N
XLogP5.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.59
LogP ≤ 55.57
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-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione (CID 21260080) is 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione is CCCCCC(CCCC)SCCCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione?
The InChIKey is BYKKXRSWSCZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2S/c1-3-5-8-13-18(12-6-4-2)24-17-10-7-9-16-21-19(22)14-11-15-20(21)23/h18H,3-17H2,1-2H3.
What are the key properties of 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione?
1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione has a molecular weight of 355.59 g/mol, XLogP of 5.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-decan-5-ylsulfanylpentyl)piperidine-2,6-dione is sourced from PubChem (CID 21260080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).