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

C15H17N3O4S — CID 59765254

IUPAC3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCN(C)c1scc2c1C(=O)N([C@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H17N3O4S/c1-4-17(3)13-10-8(7-23-13)11(20)18(12(10)21)15(2)6-5-9(19)16-14(15)22/h7H,4-6H2,1-3H3,(H,16,19,22)/t15-/m1/s1
InChIKeyWPZFTBZALZWIHF-OAHLLOKOSA-N
MW335.39 g/mol
LogP1.00
Rot. Bonds3

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

3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765254) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765254
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCN(C)c1scc2c1C(=O)N([C@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H17N3O4S/c1-4-17(3)13-10-8(7-23-13)11(20)18(12(10)21)15(2)6-5-9(19)16-14(15)22/h7H,4-6H2,1-3H3,(H,16,19,22)/t15-/m1/s1
InChIKeyWPZFTBZALZWIHF-OAHLLOKOSA-N
XLogP1.00
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.00
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-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (CID 59765254) is 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is CCN(C)c1scc2c1C(=O)N([C@]1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is WPZFTBZALZWIHF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-4-17(3)13-10-8(7-23-13)11(20)18(12(10)21)15(2)6-5-9(19)16-14(15)22/h7H,4-6H2,1-3H3,(H,16,19,22)/t15-/m1/s1.
What are the key properties of 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 335.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-5-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).