1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione

C14H20N2O2S — CID 63291491

IUPAC1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(Cc1cccs1)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C14H20N2O2S/c1-9(2)16-13(17)8-12(14(16)18)15-10(3)7-11-5-4-6-19-11/h4-6,9-10,12,15H,7-8H2,1-3H3
InChIKeyOVZSQFRUUZDHLW-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.80
Rot. Bonds5

About 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione

1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 63291491) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
PubChem CID63291491
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
SMILESCC(Cc1cccs1)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C14H20N2O2S/c1-9(2)16-13(17)8-12(14(16)18)15-10(3)7-11-5-4-6-19-11/h4-6,9-10,12,15H,7-8H2,1-3H3
InChIKeyOVZSQFRUUZDHLW-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63291448
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 80526495
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 61469351
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 61473329
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
N-(1-thiophen-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842653
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione (CID 63291491) is 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione is CC(Cc1cccs1)NC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is OVZSQFRUUZDHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(2)16-13(17)8-12(14(16)18)15-10(3)7-11-5-4-6-19-11/h4-6,9-10,12,15H,7-8H2,1-3H3.
What are the key properties of 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione?
1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 280.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63291491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).