3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide

C6H9NO2S — CID 15686553

IUPAC3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
SMILESO=S1(=O)CC2=C(CNC2)C1
InChIInChI=1S/C6H9NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h7H,1-4H2
InChIKeyFTZBICPRXKQNHA-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.69
Rot. Bonds

About 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide

3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide (PubChem CID 15686553) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide.

Molecular Properties

Compound Name3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
PubChem CID15686553
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
SMILESO=S1(=O)CC2=C(CNC2)C1
InChIInChI=1S/C6H9NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h7H,1-4H2
InChIKeyFTZBICPRXKQNHA-UHFFFAOYSA-N
XLogP-0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The IUPAC name of 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide (CID 15686553) is 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide.
What is the SMILES notation for 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The canonical SMILES for 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide is O=S1(=O)CC2=C(CNC2)C1.
What is the InChIKey of 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The InChIKey is FTZBICPRXKQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h7H,1-4H2.
What are the key properties of 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide has a molecular weight of 159.21 g/mol, XLogP of -0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide is sourced from PubChem (CID 15686553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).