1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione

C14H18N2O2S — CID 47053590

IUPAC1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCCC1c1ccsc1
InChIInChI=1S/C14H18N2O2S/c17-13-3-4-14(18)16(13)8-7-15-6-1-2-12(15)11-5-9-19-10-11/h5,9-10,12H,1-4,6-8H2
InChIKeySACDDNGSHWFSKC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 47053590) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID47053590
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCCC1c1ccsc1
InChIInChI=1S/C14H18N2O2S/c17-13-3-4-14(18)16(13)8-7-15-6-1-2-12(15)11-5-9-19-10-11/h5,9-10,12H,1-4,6-8H2
InChIKeySACDDNGSHWFSKC-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 47035108
5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94178433
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
CID 51946772
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 95567423
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 94632074
1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
CID 51119626
3,4-dimethyl-5-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 94138790
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 47053590) is 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CCCC1c1ccsc1.
What is the InChIKey of 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is SACDDNGSHWFSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13-3-4-14(18)16(13)8-7-15-6-1-2-12(15)11-5-9-19-10-11/h5,9-10,12H,1-4,6-8H2.
What are the key properties of 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 278.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 47053590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).