(3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide

C8H15NO2S — CID 166686485

IUPAC(3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
SMILESCCN1C[C@H]2CCS(=O)(=O)[C@H]2C1
InChIInChI=1S/C8H15NO2S/c1-2-9-5-7-3-4-12(10,11)8(7)6-9/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyYHDARURBYSJSPG-SFYZADRCSA-N
MW189.28 g/mol
LogP0.13
Rot. Bonds1

About (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide

(3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide (PubChem CID 166686485) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide.

Molecular Properties

Compound Name(3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
PubChem CID166686485
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
SMILESCCN1C[C@H]2CCS(=O)(=O)[C@H]2C1
InChIInChI=1S/C8H15NO2S/c1-2-9-5-7-3-4-12(10,11)8(7)6-9/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyYHDARURBYSJSPG-SFYZADRCSA-N
XLogP0.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-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 (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The IUPAC name of (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide (CID 166686485) is (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide.
What is the SMILES notation for (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The canonical SMILES for (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide is CCN1C[C@H]2CCS(=O)(=O)[C@H]2C1.
What is the InChIKey of (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The InChIKey is YHDARURBYSJSPG-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-2-9-5-7-3-4-12(10,11)8(7)6-9/h7-8H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
(3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-ethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide is sourced from PubChem (CID 166686485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).