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

C22H41NO2S — CID 21260057

IUPAC1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCSCCCCCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C22H41NO2S/c1-2-3-4-5-11-14-19-26-20-15-12-9-7-6-8-10-13-18-23-21(24)16-17-22(23)25/h2-20H2,1H3
InChIKeyHTVAYJVGRYZVHX-UHFFFAOYSA-N
MW383.64 g/mol
LogP6.35
Rot. Bonds18

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

1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione (PubChem CID 21260057) has the molecular formula C22H41NO2S and a molecular weight of 383.64 g/mol. Its IUPAC name is 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione
PubChem CID21260057
Molecular FormulaC22H41NO2S
Molecular Weight383.64 g/mol
Exact Mass383.29
IUPAC Name1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione
SMILESCCCCCCCCSCCCCCCCCCCN1C(=O)CCC1=O
InChIInChI=1S/C22H41NO2S/c1-2-3-4-5-11-14-19-26-20-15-12-9-7-6-8-10-13-18-23-21(24)16-17-22(23)25/h2-20H2,1H3
InChIKeyHTVAYJVGRYZVHX-UHFFFAOYSA-N
XLogP6.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.64
LogP ≤ 56.35
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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Related Compounds

1-(2-(Decylthio)ethyl)-2-pyrrolidinone
CID 124240
1,2-Decylthioethylazacyclopentane-2-on
CID 22633677
3-Methylsulfanyl-1-(2-oxobutyl)pyrrolidine-2,5-dione;nonane
CID 163644710
3-(2-Aminoethylthio)-1-nonylpyrrolidine-2,5-dione
CID 512847
3-(Hydroxyethylthio)-3-methyl-1-nonylpyrrolidine-2,5-dione
CID 512860
3-[(2-Aminoethyl)thio]-3-methyl-1-nonylpyrrolidine-2,5-dione
CID 512861
6-[2,5-Dioxo-3-(6-oxoheptylsulfanyl)pyrrolidin-1-yl]hexanoyl fluoride
CID 144702364
1-Butyl-3-(butylsulfanyl)pyrrolidine-2,5-dione
CID 426442
1-Dodecyl-3-methyl-4-thia-1-azaspiro[4.5]decan-2-one
CID 15955376
1-(2-Nonylsulfanylethyl)pyrrolidin-2-one
CID 14128029
1-(4-Octylsulfanylbutyl)pyrrolidin-2-one
CID 14128034
1-(3-Nonylsulfanylpropyl)pyrrolidin-2-one
CID 14625937

Frequently Asked Questions

What is the IUPAC name of 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione (CID 21260057) is 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione is CCCCCCCCSCCCCCCCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione?
The InChIKey is HTVAYJVGRYZVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO2S/c1-2-3-4-5-11-14-19-26-20-15-12-9-7-6-8-10-13-18-23-21(24)16-17-22(23)25/h2-20H2,1H3.
What are the key properties of 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione?
1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione has a molecular weight of 383.64 g/mol, XLogP of 6.35, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-octylsulfanyldecyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 21260057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).