3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C15H22N2O2S — CID 80526495

IUPAC3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCC(C)(C)c2cccs2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-10(2)17-13(18)8-11(14(17)19)16-9-15(3,4)12-6-5-7-20-12/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyLIMPORATSBMSBE-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.15
Rot. Bonds5

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

3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 80526495) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID80526495
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCC(C)(C)c2cccs2)C1=O
InChIInChI=1S/C15H22N2O2S/c1-10(2)17-13(18)8-11(14(17)19)16-9-15(3,4)12-6-5-7-20-12/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyLIMPORATSBMSBE-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 80526495) is 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NCC(C)(C)c2cccs2)C1=O.
What is the InChIKey of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LIMPORATSBMSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)17-13(18)8-11(14(17)19)16-9-15(3,4)12-6-5-7-20-12/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 294.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 80526495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).