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

C15H21N3O2S — CID 35429886

IUPAC5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC[C@@H]2c2cccs2)C1=O
InChIInChI=1S/C15H21N3O2S/c1-15(2)13(19)18(14(20)16-15)9-8-17-7-3-5-11(17)12-6-4-10-21-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyIRBZPKWBPRQSBT-LLVKDONJSA-N
MW307.42 g/mol
LogP2.22
Rot. Bonds4

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

5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 35429886) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID35429886
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCC[C@@H]2c2cccs2)C1=O
InChIInChI=1S/C15H21N3O2S/c1-15(2)13(19)18(14(20)16-15)9-8-17-7-3-5-11(17)12-6-4-10-21-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyIRBZPKWBPRQSBT-LLVKDONJSA-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-[(2R)-2-thiophen-2-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

Related Compounds

5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94178433
8-tert-butyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18170818
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94393094
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47057220
(5S)-5-methyl-5-naphthalen-2-yl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925361
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925371
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
1-propyl-3-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 18093199
5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81491302
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 35429886) is 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCC[C@@H]2c2cccs2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is IRBZPKWBPRQSBT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2)13(19)18(14(20)16-15)9-8-17-7-3-5-11(17)12-6-4-10-21-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-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-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 35429886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).