1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione

C12H19NO2S — CID 166906860

IUPAC1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C12H19NO2S/c1-16-10-8-11(14)13(12(10)15)9-6-4-2-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyIVPJGLBVAKJUAQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.20
Rot. Bonds2

About 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione

1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 166906860) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID166906860
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(C2CCCCCC2)C1=O
InChIInChI=1S/C12H19NO2S/c1-16-10-8-11(14)13(12(10)15)9-6-4-2-3-5-7-9/h9-10H,2-8H2,1H3
InChIKeyIVPJGLBVAKJUAQ-UHFFFAOYSA-N
XLogP2.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dimethylpyrrolidin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 145867154
1-(4-Heptylsulfanylbutyl)-5-methylpyrrolidin-2-one
CID 14625995
3-Methylsulfanyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 20777967
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
1-(2-Dodecan-2-ylsulfanylethyl)pyrrolidine-2,5-dione
CID 21260077
1-(5-Octan-4-ylsulfanylpentyl)pyrrolidine-2,5-dione
CID 21260100
1-(2-Decan-2-ylsulfanylethyl)pyrrolidine-2,5-dione
CID 21260145

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione (CID 166906860) is 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is IVPJGLBVAKJUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-16-10-8-11(14)13(12(10)15)9-6-4-2-3-5-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione?
1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 241.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 166906860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).