1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione

C15H25NO2S — CID 21260093

IUPAC1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCSC1CCCCC1
InChIInChI=1S/C15H25NO2S/c17-14-9-10-15(18)16(14)11-5-2-6-12-19-13-7-3-1-4-8-13/h13H,1-12H2
InChIKeyLSGXWUWXQRAKJJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.37
Rot. Bonds7

About 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione

1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione (PubChem CID 21260093) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione
PubChem CID21260093
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCSC1CCCCC1
InChIInChI=1S/C15H25NO2S/c17-14-9-10-15(18)16(14)11-5-2-6-12-19-13-7-3-1-4-8-13/h13H,1-12H2
InChIKeyLSGXWUWXQRAKJJ-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.37
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-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione (CID 21260093) is 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCCSC1CCCCC1.
What is the InChIKey of 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione?
The InChIKey is LSGXWUWXQRAKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c17-14-9-10-15(18)16(14)11-5-2-6-12-19-13-7-3-1-4-8-13/h13H,1-12H2.
What are the key properties of 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione?
1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione has a molecular weight of 283.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexylsulfanylpentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 21260093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).