5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H16N2S — CID 60972638

IUPAC5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1csc(CN2CC3CNCC3C2)c1
InChIInChI=1S/C11H16N2S/c1-2-11(14-3-1)8-13-6-9-4-12-5-10(9)7-13/h1-3,9-10,12H,4-8H2
InChIKeyGFLIVYQHZNUSIV-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.40
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 60972638) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID60972638
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1csc(CN2CC3CNCC3C2)c1
InChIInChI=1S/C11H16N2S/c1-2-11(14-3-1)8-13-6-9-4-12-5-10(9)7-13/h1-3,9-10,12H,4-8H2
InChIKeyGFLIVYQHZNUSIV-UHFFFAOYSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(1R,5S)-6-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane
CID 77084994
1-(thiophen-2-ylmethyl)piperazine
CID 566208
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120663923
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120660237
(3aR,6aS)-5-[(2-chlorothiophen-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120846052
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
CID 23830026
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
(3aS,6aR)-5-[(2,6-dichlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042182
(3aR,7aS)-N,N-dimethyl-2-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-sulfonamide
CID 97377229
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 60972638) is 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1csc(CN2CC3CNCC3C2)c1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is GFLIVYQHZNUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-11(14-3-1)8-13-6-9-4-12-5-10(9)7-13/h1-3,9-10,12H,4-8H2.
What are the key properties of 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 208.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 60972638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).