1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione

C14H20N2O2S — CID 80526355

IUPAC1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC(C)(C)c2cccs2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-16-12(17)8-10(13(16)18)15-9-14(2,3)11-6-5-7-19-11/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyDVYDISIUBQIFHI-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.76
Rot. Bonds5

About 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione

1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione (PubChem CID 80526355) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
PubChem CID80526355
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC(C)(C)c2cccs2)C1=O
InChIInChI=1S/C14H20N2O2S/c1-4-16-12(17)8-10(13(16)18)15-9-14(2,3)11-6-5-7-19-11/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyDVYDISIUBQIFHI-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4425543
H-Cys(1)-2Thi-Ile-Asn-Asn-Cys(1)-Pro-Orn-Gly-NH2
CID 53362732
H-Cys(1)-2Thi-Ile-Asn-Asn-Cys(1)-Pro-Dab-Gly-NH2
CID 53362797
H-Cys(1)-2Thi-Ile-Asn-Asn-Cys(1)-Pro-Orn(iPr)(iPr)-Gly-NH2
CID 53362798
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-cyclohexyl-2-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4306436
N-cyclohexyl-N~2~-[(2,5-dioxoimidazolidin-4-yl)acetyl]-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4234389
1-[2,5-Dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 2980621
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395
N~2~-acetyl-N-cyclopentyl-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 3240904

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione (CID 80526355) is 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NCC(C)(C)c2cccs2)C1=O.
What is the InChIKey of 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
The InChIKey is DVYDISIUBQIFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-16-12(17)8-10(13(16)18)15-9-14(2,3)11-6-5-7-19-11/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 80526355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).