1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione

C19H33NO3S — CID 58413700

IUPAC1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCSC1CC(=O)N(CCCCCCCCCCC(C)=O)C1=O
InChIInChI=1S/C19H33NO3S/c1-3-14-24-17-15-18(22)20(19(17)23)13-11-9-7-5-4-6-8-10-12-16(2)21/h17H,3-15H2,1-2H3
InChIKeyBVXBYFLIHIYRCG-UHFFFAOYSA-N
MW355.54 g/mol
LogP4.36
Rot. Bonds14

About 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione

1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione (PubChem CID 58413700) has the molecular formula C19H33NO3S and a molecular weight of 355.54 g/mol. Its IUPAC name is 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione
PubChem CID58413700
Molecular FormulaC19H33NO3S
Molecular Weight355.54 g/mol
Exact Mass355.22
IUPAC Name1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione
SMILESCCCSC1CC(=O)N(CCCCCCCCCCC(C)=O)C1=O
InChIInChI=1S/C19H33NO3S/c1-3-14-24-17-15-18(22)20(19(17)23)13-11-9-7-5-4-6-8-10-12-16(2)21/h17H,3-15H2,1-2H3
InChIKeyBVXBYFLIHIYRCG-UHFFFAOYSA-N
XLogP4.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methylsulfanyl-1-(2-oxobutyl)pyrrolidine-2,5-dione;nonane
CID 163644710
6-[2,5-Dioxo-3-(2-oxopropylsulfanyl)pyrrolidin-1-yl]hexanoyl fluoride
CID 144702361
6-[2,5-Dioxo-3-(6-oxoheptylsulfanyl)pyrrolidin-1-yl]hexanoyl fluoride
CID 144702364
3-[4-(Dimethylamino)butylsulfanyl]-1-(6-oxoheptyl)pyrrolidine-2,5-dione
CID 20760730
3-Ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 20805536
3-Ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 20805537
1-(3-Octadecan-3-ylsulfanylpropyl)pyrrolidine-2,5-dione
CID 21259937
1-(3-Dodecan-3-ylsulfanylpropyl)pyrrolidine-2,5-dione
CID 21260024
1-(2-Octadecan-2-ylsulfanylethyl)pyrrolidine-2,5-dione
CID 21260026
1-(10-Octylsulfanyldecyl)pyrrolidine-2,5-dione
CID 21260057
1-(10-Dodecan-3-ylsulfanyldecyl)pyrrolidine-2,5-dione
CID 21260068
1-(5-Dodecan-5-ylsulfanylpentyl)pyrrolidine-2,5-dione
CID 21260069

Frequently Asked Questions

What is the IUPAC name of 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione (CID 58413700) is 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione is CCCSC1CC(=O)N(CCCCCCCCCCC(C)=O)C1=O.
What is the InChIKey of 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione?
The InChIKey is BVXBYFLIHIYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3S/c1-3-14-24-17-15-18(22)20(19(17)23)13-11-9-7-5-4-6-8-10-12-16(2)21/h17H,3-15H2,1-2H3.
What are the key properties of 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione?
1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione has a molecular weight of 355.54 g/mol, XLogP of 4.36, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-oxododecyl)-3-propylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 58413700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).