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

C15H14N2O2S — CID 9318609

IUPAC2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione
SMILESCN(Cc1ccsc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H14N2O2S/c1-16(8-11-6-7-20-9-11)10-17-14(18)12-4-2-3-5-13(12)15(17)19/h2-7,9H,8,10H2,1H3
InChIKeyHVOXPPVNHQPKSL-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.43
Rot. Bonds4

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

2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione (PubChem CID 9318609) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione
PubChem CID9318609
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione
SMILESCN(Cc1ccsc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H14N2O2S/c1-16(8-11-6-7-20-9-11)10-17-14(18)12-4-2-3-5-13(12)15(17)19/h2-7,9H,8,10H2,1H3
InChIKeyHVOXPPVNHQPKSL-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
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 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione (CID 9318609) is 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione is CN(Cc1ccsc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione?
The InChIKey is HVOXPPVNHQPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-16(8-11-6-7-20-9-11)10-17-14(18)12-4-2-3-5-13(12)15(17)19/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione?
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 286.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 9318609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).