4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione

C15H13NO2S — CID 61354643

IUPAC4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(Cc1cccs1)C(=O)C2=O
InChIInChI=1S/C15H13NO2S/c1-9-6-10(2)13-12(7-9)16(15(18)14(13)17)8-11-4-3-5-19-11/h3-7H,8H2,1-2H3
InChIKeyZAHFUDUOOYOQIR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.09
Rot. Bonds2

About 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione

4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione (PubChem CID 61354643) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione
PubChem CID61354643
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(Cc1cccs1)C(=O)C2=O
InChIInChI=1S/C15H13NO2S/c1-9-6-10(2)13-12(7-9)16(15(18)14(13)17)8-11-4-3-5-19-11/h3-7H,8H2,1-2H3
InChIKeyZAHFUDUOOYOQIR-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-ethylthiophen-2-yl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354644
1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354793
1-[(3-bromophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354961
5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
CID 61356112
1-(2-hydroxypropyl)-4,6-dimethylindole-2,3-dione
CID 61355445
4,6-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 61354958
1-[2-(chloromethyl)prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103065742
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
4,6-dimethyl-1-[3-(methylamino)propyl]indole-2,3-dione
CID 61388378
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63775885
2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetic acid
CID 21480801
2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3491079

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione (CID 61354643) is 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione is Cc1cc(C)c2c(c1)N(Cc1cccs1)C(=O)C2=O.
What is the InChIKey of 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione?
The InChIKey is ZAHFUDUOOYOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-9-6-10(2)13-12(7-9)16(15(18)14(13)17)8-11-4-3-5-19-11/h3-7H,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione?
4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione has a molecular weight of 271.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(thiophen-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).