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

C15H17N3O4S — CID 59765318

IUPAC5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
SMILESCCCNc1scc2c1C(=O)N([C@@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H17N3O4S/c1-3-6-16-11-10-8(7-23-11)12(20)18(13(10)21)15(2)5-4-9(19)17-14(15)22/h7,16H,3-6H2,1-2H3,(H,17,19,22)/t15-/m0/s1
InChIKeyCJUIFSGEOYBBOK-HNNXBMFYSA-N
MW335.39 g/mol
LogP1.36
Rot. Bonds4

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

5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765318) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765318
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione
SMILESCCCNc1scc2c1C(=O)N([C@@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H17N3O4S/c1-3-6-16-11-10-8(7-23-11)12(20)18(13(10)21)15(2)5-4-9(19)17-14(15)22/h7,16H,3-6H2,1-2H3,(H,17,19,22)/t15-/m0/s1
InChIKeyCJUIFSGEOYBBOK-HNNXBMFYSA-N
XLogP1.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.36
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 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione (CID 59765318) is 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione is CCCNc1scc2c1C(=O)N([C@@]1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is CJUIFSGEOYBBOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-6-16-11-10-8(7-23-11)12(20)18(13(10)21)15(2)5-4-9(19)17-14(15)22/h7,16H,3-6H2,1-2H3,(H,17,19,22)/t15-/m0/s1.
What are the key properties of 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione?
5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 335.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-(propylamino)thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).