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

C6H11NS — CID 118210150

IUPAC3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole
SMILESC1CC2CNCC2S1
InChIInChI=1S/C6H11NS/c1-2-8-6-4-7-3-5(1)6/h5-7H,1-4H2
InChIKeyAMERPHSQTJRZBT-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.71
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole (PubChem CID 118210150) 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[2,3-c]pyrrole.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole
PubChem CID118210150
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole
SMILESC1CC2CNCC2S1
InChIInChI=1S/C6H11NS/c1-2-8-6-4-7-3-5(1)6/h5-7H,1-4H2
InChIKeyAMERPHSQTJRZBT-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

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

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Related Compounds

(3aR,6aS)-hexahydro-1H-thieno[3,4-c]pyrrole
CID 66591938
rac-(3aR,6aS)-3a-methyl-hexahydro-1H-thieno(3,4-c)pyrrole
CID 132344068
rac-(3aR,6aR)-hexahydro-2H-1lambda6-thieno[2,3-c]pyrrole-1,1-dione hydrochloride
CID 162624163
Tetrahydrothienopyrrolidine
CID 58300415
(3As,6as)-hexahydro-2h-thieno[2,3-c]pyrrole 1,1-dioxide
CID 25324035
(3aR,6aR)-Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide
CID 25324033
hexahydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide
CID 42942931
Hexahydro-1H-thieno[3,4-C]pyrrole
CID 53912061
(3aR,6aS)-5-methanidyl-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrol-5-ium
CID 57868384
2-Thia-7-azaspiro[4.4]nonane
CID 62354173
cis-hexahydro-1H-thieno[3,4-c]pyrrole hydrochloride
CID 66591937
2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole
CID 82593791

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole (CID 118210150) is 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole is C1CC2CNCC2S1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole?
The InChIKey is AMERPHSQTJRZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-8-6-4-7-3-5(1)6/h5-7H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole?
3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]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 3,3a,4,5,6,6a-hexahydro-2H-thieno[2,3-c]pyrrole is sourced from PubChem (CID 118210150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).