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

C13H18N2O2S — CID 80526281

IUPAC1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC(C)(C)c2cccs2)C1=O
InChIInChI=1S/C13H18N2O2S/c1-13(2,10-5-4-6-18-10)8-14-9-7-11(16)15(3)12(9)17/h4-6,9,14H,7-8H2,1-3H3
InChIKeyDGSHMGRIRGIILQ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.37
Rot. Bonds4

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

1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione (PubChem CID 80526281) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
PubChem CID80526281
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC(C)(C)c2cccs2)C1=O
InChIInChI=1S/C13H18N2O2S/c1-13(2,10-5-4-6-18-10)8-14-9-7-11(16)15(3)12(9)17/h4-6,9,14H,7-8H2,1-3H3
InChIKeyDGSHMGRIRGIILQ-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.37
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

1-ethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione
CID 80526355
3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 80526495
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione
CID 114941623
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 114167202
1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione (CID 80526281) is 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione is CN1C(=O)CC(NCC(C)(C)c2cccs2)C1=O.
What is the InChIKey of 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
The InChIKey is DGSHMGRIRGIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,10-5-4-6-18-10)8-14-9-7-11(16)15(3)12(9)17/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione?
1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione has a molecular weight of 266.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 80526281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).