2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

C14H18N2O2S — CID 156610617

IUPAC2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCCC(c1cccs1)N1C(=O)C2CN(C)CC2C1=O
InChIInChI=1S/C14H18N2O2S/c1-3-11(12-5-4-6-19-12)16-13(17)9-7-15(2)8-10(9)14(16)18/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyMNANXIMTIUIVGD-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione

2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 156610617) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID156610617
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCCC(c1cccs1)N1C(=O)C2CN(C)CC2C1=O
InChIInChI=1S/C14H18N2O2S/c1-3-11(12-5-4-6-19-12)16-13(17)9-7-15(2)8-10(9)14(16)18/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyMNANXIMTIUIVGD-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3aS,6aR)-2-(2-methylphenyl)sulfonyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91906050
(3aR,6aS)-2-[(2-fluorophenyl)methylsulfonyl]-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916108
3-ethyl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965819
8-(1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947109
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639
5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64948011
1-methyl-N-(1-thiophen-2-ylpropyl)pyrrolidin-3-amine
CID 61462269
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316642
6-ethyl-3-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine-2,5-dione
CID 64965830
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
1-(1-thiophen-2-ylbutyl)-1,3-diazinane-2,4,6-trione
CID 112597914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (CID 156610617) is 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is CCC(c1cccs1)N1C(=O)C2CN(C)CC2C1=O.
What is the InChIKey of 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is MNANXIMTIUIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-11(12-5-4-6-19-12)16-13(17)9-7-15(2)8-10(9)14(16)18/h4-6,9-11H,3,7-8H2,1-2H3.
What are the key properties of 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 278.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-thiophen-2-ylpropyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 156610617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).