2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole

C6H11NS — CID 82593791

IUPAC2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole
SMILESC1CC2CSCC2N1
InChIInChI=1S/C6H11NS/c1-2-7-6-4-8-3-5(1)6/h5-7H,1-4H2
InChIKeyFPFFTLOLMLECNN-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.71
Rot. Bonds

About 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole

2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole (PubChem CID 82593791) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole
PubChem CID82593791
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole
SMILESC1CC2CSCC2N1
InChIInChI=1S/C6H11NS/c1-2-7-6-4-8-3-5(1)6/h5-7H,1-4H2
InChIKeyFPFFTLOLMLECNN-UHFFFAOYSA-N
XLogP0.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole (CID 82593791) is 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole is C1CC2CSCC2N1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole?
The InChIKey is FPFFTLOLMLECNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-7-6-4-8-3-5(1)6/h5-7H,1-4H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole?
2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole has a molecular weight of 129.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole is sourced from PubChem (CID 82593791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).