3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione

C13H13N3O4S — CID 59765297

IUPAC3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCN1C(=O)CC[C@](C)(N2C(=O)c3csc(N)c3C2=O)C1=O
InChIInChI=1S/C13H13N3O4S/c1-13(4-3-7(17)15(2)12(13)20)16-10(18)6-5-21-9(14)8(6)11(16)19/h5H,3-4,14H2,1-2H3/t13-/m0/s1
InChIKeyFNXNVENLUWYNAW-ZDUSSCGKSA-N
MW307.33 g/mol
LogP0.46
Rot. Bonds1

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

3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 59765297) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID59765297
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCN1C(=O)CC[C@](C)(N2C(=O)c3csc(N)c3C2=O)C1=O
InChIInChI=1S/C13H13N3O4S/c1-13(4-3-7(17)15(2)12(13)20)16-10(18)6-5-21-9(14)8(6)11(16)19/h5H,3-4,14H2,1-2H3/t13-/m0/s1
InChIKeyFNXNVENLUWYNAW-ZDUSSCGKSA-N
XLogP0.46
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.46
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)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione (CID 59765297) is 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is CN1C(=O)CC[C@](C)(N2C(=O)c3csc(N)c3C2=O)C1=O.
What is the InChIKey of 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is FNXNVENLUWYNAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-13(4-3-7(17)15(2)12(13)20)16-10(18)6-5-21-9(14)8(6)11(16)19/h5H,3-4,14H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione?
3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 307.33 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3S)-1,3-dimethyl-2,6-dioxopiperidin-3-yl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 59765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).