1-pentyl-3-sulfanylpyrrolidine-2,5-dione

C9H15NO2S — CID 143784409

IUPAC1-pentyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCCCCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C9H15NO2S/c1-2-3-4-5-10-8(11)6-7(13)9(10)12/h7,13H,2-6H2,1H3
InChIKeyHXPQAUYNTUMLOA-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.23
Rot. Bonds4

About 1-pentyl-3-sulfanylpyrrolidine-2,5-dione

1-pentyl-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 143784409) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-pentyl-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-pentyl-3-sulfanylpyrrolidine-2,5-dione
PubChem CID143784409
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-pentyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCCCCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C9H15NO2S/c1-2-3-4-5-10-8(11)6-7(13)9(10)12/h7,13H,2-6H2,1H3
InChIKeyHXPQAUYNTUMLOA-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanal
CID 139380902
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
3-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-pentyl-3-sulfanylpyrrolidine-2,5-dione (CID 143784409) is 1-pentyl-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-pentyl-3-sulfanylpyrrolidine-2,5-dione is CCCCCN1C(=O)CC(S)C1=O.
What is the InChIKey of 1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is HXPQAUYNTUMLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-2-3-4-5-10-8(11)6-7(13)9(10)12/h7,13H,2-6H2,1H3.
What are the key properties of 1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
1-pentyl-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 201.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 143784409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).