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

C17H21N3O3S — CID 94117584

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

(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 94117584) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 94117584
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccsc2)C1=O
• InChI: InChI=1S/C17H21N3O3S/c1-17(12-4-5-12)15(22)20(16(23)18-17)9-14(21)19-7-2-3-13(19)11-6-8-24-10-11/h6,8,10,12-13H,2-5,7,9H2,1H3,(H,18,23)/t13-,17-/m0/s1
• InChIKey: BZHNQTYYTJGQSH-GUYCJALGSA-N
• XLogP: 2.13
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 94117584) is (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccsc2)C1=O.

What is the InChIKey of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is BZHNQTYYTJGQSH-GUYCJALGSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(12-4-5-12)15(22)20(16(23)18-17)9-14(21)19-7-2-3-13(19)11-6-8-24-10-11/h6,8,10,12-13H,2-5,7,9H2,1H3,(H,18,23)/t13-,17-/m0/s1.

What are the key properties of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?

(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 347.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94117584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).