3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole

C6H11NS — CID 58300415

IUPAC3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole
SMILESC1CC2SCCC2N1
InChIInChI=1S/C6H11NS/c1-3-7-5-2-4-8-6(1)5/h5-7H,1-4H2
InChIKeyUJMGQGSAEORUQG-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.85
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole

3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole (PubChem CID 58300415) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole
PubChem CID58300415
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole
SMILESC1CC2SCCC2N1
InChIInChI=1S/C6H11NS/c1-3-7-5-2-4-8-6(1)5/h5-7H,1-4H2
InChIKeyUJMGQGSAEORUQG-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole with MolForge

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Related Compounds

Hexahydrothieno[2,3-c]pyrrole
CID 118210150
(1S,4S)-2-Thia-5-azabicyclo[2.2.1]heptane
CID 15428053
2-(1,3-Dithiolan-2-yl)pyrrolidine
CID 72789597
Perhydrothieno[3,4-d]thiazole
CID 129793388
(2S)-2-(1,3-dithiolan-2-ylmethyl)pyrrolidine
CID 643425
2-(1,3-Dithiolan-2-ylmethyl)pyrrolidine
CID 11063203
2-Thia-5-azabicyclo[2.2.1]heptane
CID 16638389
2-(Thiolan-2-yl)pyrrolidine
CID 18510131
(1R,4R)-2-thia-5-azabicyclo[2.2.1]heptane
CID 42554309
(8R)-8-methyl-1,4-dithia-7-azaspiro[4.4]nonane
CID 58604852
2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole
CID 82593791
8-Ethyl-1,4-dithia-7-azaspiro[4.4]nonane
CID 89054722

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole (CID 58300415) is 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole is C1CC2SCCC2N1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole?
The InChIKey is UJMGQGSAEORUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-7-5-2-4-8-6(1)5/h5-7H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole?
3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole has a molecular weight of 129.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 58300415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).