1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione

C14H25NO2S — CID 155453161

IUPAC1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione
SMILESCCCC(C)SC1CC(=O)N(C(C)CCC)C1=O
InChIInChI=1S/C14H25NO2S/c1-5-7-10(3)15-13(16)9-12(14(15)17)18-11(4)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeyAHVCVCDPUDXTQT-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.22
Rot. Bonds7

About 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione

1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione (PubChem CID 155453161) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione
PubChem CID155453161
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione
SMILESCCCC(C)SC1CC(=O)N(C(C)CCC)C1=O
InChIInChI=1S/C14H25NO2S/c1-5-7-10(3)15-13(16)9-12(14(15)17)18-11(4)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeyAHVCVCDPUDXTQT-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione (CID 155453161) is 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione is CCCC(C)SC1CC(=O)N(C(C)CCC)C1=O.
What is the InChIKey of 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione?
The InChIKey is AHVCVCDPUDXTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-5-7-10(3)15-13(16)9-12(14(15)17)18-11(4)8-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione?
1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione has a molecular weight of 271.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 155453161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).