1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione

C19H35NO2S — CID 21260079

IUPAC1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione
SMILESCCCCCCCCCCC(C)SCCN1C(=O)CCCC1=O
InChIInChI=1S/C19H35NO2S/c1-3-4-5-6-7-8-9-10-12-17(2)23-16-15-20-18(21)13-11-14-19(20)22/h17H,3-16H2,1-2H3
InChIKeyWOBUTEZKZAVILO-UHFFFAOYSA-N
MW341.56 g/mol
LogP5.18
Rot. Bonds13

About 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione

1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione (PubChem CID 21260079) has the molecular formula C19H35NO2S and a molecular weight of 341.56 g/mol. Its IUPAC name is 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione
PubChem CID21260079
Molecular FormulaC19H35NO2S
Molecular Weight341.56 g/mol
Exact Mass341.24
IUPAC Name1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione
SMILESCCCCCCCCCCC(C)SCCN1C(=O)CCCC1=O
InChIInChI=1S/C19H35NO2S/c1-3-4-5-6-7-8-9-10-12-17(2)23-16-15-20-18(21)13-11-14-19(20)22/h17H,3-16H2,1-2H3
InChIKeyWOBUTEZKZAVILO-UHFFFAOYSA-N
XLogP5.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.56
LogP ≤ 55.18
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-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione?
The IUPAC name of 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione (CID 21260079) is 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione is CCCCCCCCCCC(C)SCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione?
The InChIKey is WOBUTEZKZAVILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2S/c1-3-4-5-6-7-8-9-10-12-17(2)23-16-15-20-18(21)13-11-14-19(20)22/h17H,3-16H2,1-2H3.
What are the key properties of 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione?
1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione has a molecular weight of 341.56 g/mol, XLogP of 5.18, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecan-2-ylsulfanylethyl)piperidine-2,6-dione is sourced from PubChem (CID 21260079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).