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

C6H11NO2S — CID 71778163

IUPAC3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
SMILESO=S1(=O)CC2CNCC2C1
InChIInChI=1S/C6H11NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h5-7H,1-4H2
InChIKeyUKZRVBJBOOMUNZ-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.75
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide (PubChem CID 71778163) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
PubChem CID71778163
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
SMILESO=S1(=O)CC2CNCC2C1
InChIInChI=1S/C6H11NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h5-7H,1-4H2
InChIKeyUKZRVBJBOOMUNZ-UHFFFAOYSA-N
XLogP-0.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3a,4,5,6,6a-hexahydro-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 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide (CID 71778163) is 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide is O=S1(=O)CC2CNCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The InChIKey is UKZRVBJBOOMUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h5-7H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide is sourced from PubChem (CID 71778163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).