3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione

C10H17NO2S — CID 143885704

IUPAC3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(CSCC)C1=O
InChIInChI=1S/C10H17NO2S/c1-3-5-11-9(12)6-8(10(11)13)7-14-4-2/h8H,3-7H2,1-2H3
InChIKeyLCZHFDAGLCYSOO-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.52
Rot. Bonds5

About 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione

3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione (PubChem CID 143885704) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione
PubChem CID143885704
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(CSCC)C1=O
InChIInChI=1S/C10H17NO2S/c1-3-5-11-9(12)6-8(10(11)13)7-14-4-2/h8H,3-7H2,1-2H3
InChIKeyLCZHFDAGLCYSOO-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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

3,3'-Sulfanediylbis(1-ethylpyrrolidine-2,5-dione)
CID 270424
S-(1-Methyl-2,5-dioxopyrrolidin-3-yl) ethanethioate
CID 3056964
(3aS,6aR)-5-[2-(dimethylamino)ethyl]-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
CID 46201744
(3aS,6aR)-5-butyl-1,3,3a,6a-tetrahydrothieno[3,4-c]pyrrole-4,6-dione
CID 46201749
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
N,N-dimethyl-5-oxothiolane-3-carboxamide
CID 15029729
1,4-Dimethyl-3-methylsulfanylpyrrolidin-2-one
CID 14417021
N-succinyl-S-acetylcysteamine
CID 129713559
1-[2-(Propylthio)propyl]-2-pyrrolidinone
CID 129806510
1-[2-(Ethylthio)propyl]-2-pyrrolidinone
CID 129807352
1-[2-[[2-(Butylthio)ethyl]thio]ethyl]-2-pyrrolidinone
CID 129809761
(3S)-3-propylsulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 164674982

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione (CID 143885704) is 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(CSCC)C1=O.
What is the InChIKey of 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione?
The InChIKey is LCZHFDAGLCYSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-5-11-9(12)6-8(10(11)13)7-14-4-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione?
3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione has a molecular weight of 215.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 143885704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).