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

C16H16N2O2S — CID 43766284

IUPAC5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione
SMILESCC(C)C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-9(2)14(13-4-3-7-21-13)17-10-5-6-11-12(8-10)16(20)18-15(11)19/h3-9,14,17H,1-2H3,(H,18,19,20)
InChIKeyLBKJGOIUSNJKDX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.44
Rot. Bonds4

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

5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione (PubChem CID 43766284) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione
PubChem CID43766284
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione
SMILESCC(C)C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-9(2)14(13-4-3-7-21-13)17-10-5-6-11-12(8-10)16(20)18-15(11)19/h3-9,14,17H,1-2H3,(H,18,19,20)
InChIKeyLBKJGOIUSNJKDX-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
N-(2-methyl-1-thiophen-2-ylpropyl)-1H-indol-5-amine
CID 43768653
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
N-(2-methyl-1-thiophen-2-ylpropyl)-1H-indazol-6-amine
CID 43790617
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
methyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzoate
CID 43774406

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione?
The IUPAC name of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione (CID 43766284) is 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione?
The canonical SMILES for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione is CC(C)C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1.
What is the InChIKey of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione?
The InChIKey is LBKJGOIUSNJKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9(2)14(13-4-3-7-21-13)17-10-5-6-11-12(8-10)16(20)18-15(11)19/h3-9,14,17H,1-2H3,(H,18,19,20).
What are the key properties of 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione?
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione has a molecular weight of 300.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione is sourced from PubChem (CID 43766284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).