5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C15H21N3O2S — CID 94178433

IUPAC5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC[C@H]2c2ccsc2)C1=O
InChIInChI=1S/C15H21N3O2S/c1-15(2)13(19)18(14(20)16-15)8-7-17-6-3-4-12(17)11-5-9-21-10-11/h5,9-10,12H,3-4,6-8H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyJUAKFCHVEVETFC-LBPRGKRZSA-N
MW307.42 g/mol
LogP2.22
Rot. Bonds4

About 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 94178433) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID94178433
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC[C@H]2c2ccsc2)C1=O
InChIInChI=1S/C15H21N3O2S/c1-15(2)13(19)18(14(20)16-15)8-7-17-6-3-4-12(17)11-5-9-21-10-11/h5,9-10,12H,3-4,6-8H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyJUAKFCHVEVETFC-LBPRGKRZSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 94178433) is 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCC[C@H]2c2ccsc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is JUAKFCHVEVETFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2)13(19)18(14(20)16-15)8-7-17-6-3-4-12(17)11-5-9-21-10-11/h5,9-10,12H,3-4,6-8H2,1-2H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 307.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94178433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).