3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione

C15H17N3O4S — CID 59765303

IUPAC3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCCN1C(=O)CC[C@](C)(N2C(=O)c3csc(N)c3C2=O)C1=O
InChIInChI=1S/C15H17N3O4S/c1-3-6-17-9(19)4-5-15(2,14(17)22)18-12(20)8-7-23-11(16)10(8)13(18)21/h7H,3-6,16H2,1-2H3/t15-/m0/s1
InChIKeyJEALSMHCDJTKQB-HNNXBMFYSA-N
MW335.39 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione

3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765303) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765303
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCCN1C(=O)CC[C@](C)(N2C(=O)c3csc(N)c3C2=O)C1=O
InChIInChI=1S/C15H17N3O4S/c1-3-6-17-9(19)4-5-15(2,14(17)22)18-12(20)8-7-23-11(16)10(8)13(18)21/h7H,3-6,16H2,1-2H3/t15-/m0/s1
InChIKeyJEALSMHCDJTKQB-HNNXBMFYSA-N
XLogP1.24
TPSA100.78 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 ≤ 51.24
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-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (CID 59765303) is 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is CCCN1C(=O)CC[C@](C)(N2C(=O)c3csc(N)c3C2=O)C1=O.
What is the InChIKey of 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is JEALSMHCDJTKQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-6-17-9(19)4-5-15(2,14(17)22)18-12(20)8-7-23-11(16)10(8)13(18)21/h7H,3-6,16H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 335.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3S)-3-methyl-2,6-dioxo-1-propylpiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).