3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione

C13H13N3O4S — CID 59765291

IUPAC3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione
SMILESCNc1scc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C13H13N3O4S/c1-14-10-9-6(5-21-10)11(18)16(13(9)20)7-3-4-8(17)15(2)12(7)19/h5,7,14H,3-4H2,1-2H3
InChIKeyYMANYCMYHHWKRR-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.53
Rot. Bonds2

About 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione

3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765291) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765291
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione
SMILESCNc1scc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C13H13N3O4S/c1-14-10-9-6(5-21-10)11(18)16(13(9)20)7-3-4-8(17)15(2)12(7)19/h5,7,14H,3-4H2,1-2H3
InChIKeyYMANYCMYHHWKRR-UHFFFAOYSA-N
XLogP0.53
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione (CID 59765291) is 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione is CNc1scc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O.
What is the InChIKey of 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is YMANYCMYHHWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-14-10-9-6(5-21-10)11(18)16(13(9)20)7-3-4-8(17)15(2)12(7)19/h5,7,14H,3-4H2,1-2H3.
What are the key properties of 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione?
3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 307.33 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-(1-methyl-2,6-dioxopiperidin-3-yl)thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).