3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide

C15H20N2O3S — CID 31737025

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide
SMILESCC(C)[C@H](NC(=O)CCN1C(=O)CCC1=O)c1cccs1
InChIInChI=1S/C15H20N2O3S/c1-10(2)15(11-4-3-9-21-11)16-12(18)7-8-17-13(19)5-6-14(17)20/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,18)/t15-/m0/s1
InChIKeyZGIKYFFEBXBHHG-HNNXBMFYSA-N
MW308.40 g/mol
LogP2.10
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide (PubChem CID 31737025) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide
PubChem CID31737025
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide
SMILESCC(C)[C@H](NC(=O)CCN1C(=O)CCC1=O)c1cccs1
InChIInChI=1S/C15H20N2O3S/c1-10(2)15(11-4-3-9-21-11)16-12(18)7-8-17-13(19)5-6-14(17)20/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,18)/t15-/m0/s1
InChIKeyZGIKYFFEBXBHHG-HNNXBMFYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.10
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-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide (CID 31737025) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide is CC(C)[C@H](NC(=O)CCN1C(=O)CCC1=O)c1cccs1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The InChIKey is ZGIKYFFEBXBHHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)15(11-4-3-9-21-11)16-12(18)7-8-17-13(19)5-6-14(17)20/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,18)/t15-/m0/s1.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]propanamide is sourced from PubChem (CID 31737025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).