1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione

C10H17NO2S — CID 130466769

IUPAC1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCC(C)C)C1=O
InChIInChI=1S/C10H17NO2S/c1-7(2)4-5-11-9(12)6-8(14-3)10(11)13/h7-8H,4-6H2,1-3H3
InChIKeyMDPRNWJZWQSJDV-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.52
Rot. Bonds4

About 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione

1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 130466769) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID130466769
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCC(C)C)C1=O
InChIInChI=1S/C10H17NO2S/c1-7(2)4-5-11-9(12)6-8(14-3)10(11)13/h7-8H,4-6H2,1-3H3
InChIKeyMDPRNWJZWQSJDV-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.52
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-butyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 58493179
1-(fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
1-(2-ethoxyethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 58841262
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 122418919
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
methanethiol;1-(2-methylpropyl)-3-methylsulfanylpyrrolidine-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione
CID 158574620
1-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 139522248
methanethiol;3-methylsulfanyl-1-propylpyrrolidine-2,5-dione;1-propylpyrrole-2,5-dione
CID 158664345
1-(5,5-dimethyl-4-oxohexyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 176767222
3-methylsulfanyl-1-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 159429749
N-[(Z)-2-hydroxyethenyl]-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 173466096

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione (CID 130466769) is 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)N(CCC(C)C)C1=O.
What is the InChIKey of 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is MDPRNWJZWQSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7(2)4-5-11-9(12)6-8(14-3)10(11)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione?
1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 215.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 130466769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).