1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione

C20H35NO2S — CID 21260155

IUPAC1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCCCCCSC1CCCCC1
InChIInChI=1S/C20H35NO2S/c22-19-14-15-20(23)21(19)16-10-5-3-1-2-4-6-11-17-24-18-12-8-7-9-13-18/h18H,1-17H2
InChIKeyROJXOBPEMYUXDI-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.32
Rot. Bonds12

About 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione

1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione (PubChem CID 21260155) has the molecular formula C20H35NO2S and a molecular weight of 353.57 g/mol. Its IUPAC name is 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione
PubChem CID21260155
Molecular FormulaC20H35NO2S
Molecular Weight353.57 g/mol
Exact Mass353.24
IUPAC Name1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCCCCCCCSC1CCCCC1
InChIInChI=1S/C20H35NO2S/c22-19-14-15-20(23)21(19)16-10-5-3-1-2-4-6-11-17-24-18-12-8-7-9-13-18/h18H,1-17H2
InChIKeyROJXOBPEMYUXDI-UHFFFAOYSA-N
XLogP5.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.32
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-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione (CID 21260155) is 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCCCCCCCSC1CCCCC1.
What is the InChIKey of 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione?
The InChIKey is ROJXOBPEMYUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2S/c22-19-14-15-20(23)21(19)16-10-5-3-1-2-4-6-11-17-24-18-12-8-7-9-13-18/h18H,1-17H2.
What are the key properties of 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione?
1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione has a molecular weight of 353.57 g/mol, XLogP of 5.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-cyclohexylsulfanyldecyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 21260155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).