1-decylsulfanylpyrrolidine-2,5-dione

C14H25NO2S — CID 13352145

IUPAC1-decylsulfanylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCSN1C(=O)CCC1=O
InChIInChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-12-18-15-13(16)10-11-14(15)17/h2-12H2,1H3
InChIKeyGYOVTDWOEIHAIJ-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.92
Rot. Bonds10

About 1-decylsulfanylpyrrolidine-2,5-dione

1-decylsulfanylpyrrolidine-2,5-dione (PubChem CID 13352145) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-decylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-decylsulfanylpyrrolidine-2,5-dione
PubChem CID13352145
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-decylsulfanylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCSN1C(=O)CCC1=O
InChIInChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-12-18-15-13(16)10-11-14(15)17/h2-12H2,1H3
InChIKeyGYOVTDWOEIHAIJ-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.92
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-decylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-decylsulfanylpyrrolidine-2,5-dione (CID 13352145) is 1-decylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-decylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-decylsulfanylpyrrolidine-2,5-dione is CCCCCCCCCCSN1C(=O)CCC1=O.
What is the InChIKey of 1-decylsulfanylpyrrolidine-2,5-dione?
The InChIKey is GYOVTDWOEIHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-12-18-15-13(16)10-11-14(15)17/h2-12H2,1H3.
What are the key properties of 1-decylsulfanylpyrrolidine-2,5-dione?
1-decylsulfanylpyrrolidine-2,5-dione has a molecular weight of 271.43 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 13352145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).