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

C14H15N3O4S — CID 59765268

IUPAC3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCNc1scc2c1C(=O)N([C@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H15N3O4S/c1-3-15-10-9-7(6-22-10)11(19)17(12(9)20)14(2)5-4-8(18)16-13(14)21/h6,15H,3-5H2,1-2H3,(H,16,18,21)/t14-/m1/s1
InChIKeyLCVVQSFJQWBOAF-CQSZACIVSA-N
MW321.36 g/mol
LogP0.97
Rot. Bonds3

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

3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765268) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765268
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCNc1scc2c1C(=O)N([C@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H15N3O4S/c1-3-15-10-9-7(6-22-10)11(19)17(12(9)20)14(2)5-4-8(18)16-13(14)21/h6,15H,3-5H2,1-2H3,(H,16,18,21)/t14-/m1/s1
InChIKeyLCVVQSFJQWBOAF-CQSZACIVSA-N
XLogP0.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
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-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (CID 59765268) is 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is CCNc1scc2c1C(=O)N([C@]1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is LCVVQSFJQWBOAF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-3-15-10-9-7(6-22-10)11(19)17(12(9)20)14(2)5-4-8(18)16-13(14)21/h6,15H,3-5H2,1-2H3,(H,16,18,21)/t14-/m1/s1.
What are the key properties of 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 321.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).