5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione

C9H10N2O2S — CID 130580580

IUPAC5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
SMILESCC(CN)N1C(=O)c2cscc2C1=O
InChIInChI=1S/C9H10N2O2S/c1-5(2-10)11-8(12)6-3-14-4-7(6)9(11)13/h3-5H,2,10H2,1H3
InChIKeyYBSOKTJLXOIHBF-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.69
Rot. Bonds2

About 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione

5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 130580580) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
PubChem CID130580580
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
SMILESCC(CN)N1C(=O)c2cscc2C1=O
InChIInChI=1S/C9H10N2O2S/c1-5(2-10)11-8(12)6-3-14-4-7(6)9(11)13/h3-5H,2,10H2,1H3
InChIKeyYBSOKTJLXOIHBF-UHFFFAOYSA-N
XLogP0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione (CID 130580580) is 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione is CC(CN)N1C(=O)c2cscc2C1=O.
What is the InChIKey of 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is YBSOKTJLXOIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-5(2-10)11-8(12)6-3-14-4-7(6)9(11)13/h3-5H,2,10H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 210.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 130580580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).