(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

C11H13NS — CID 90224764

IUPAC(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESC1=C(c2cccs2)C[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H13NS/c1-2-11(13-3-1)8-4-9-6-12-7-10(9)5-8/h1-4,9-10,12H,5-7H2/t9-,10+/m1/s1
InChIKeyZKNADTRJCGWYOL-ZJUUUORDSA-N
MW191.30 g/mol
LogP2.37
Rot. Bonds1

About (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 90224764) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID90224764
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESC1=C(c2cccs2)C[C@H]2CNC[C@@H]12
InChIInChI=1S/C11H13NS/c1-2-11(13-3-1)8-4-9-6-12-7-10(9)5-8/h1-4,9-10,12H,5-7H2/t9-,10+/m1/s1
InChIKeyZKNADTRJCGWYOL-ZJUUUORDSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

5-(1-benzothiophen-7-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;hydrochloride
CID 155345649
tert-butyl 5-thiophen-2-yl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate;methane
CID 157154723
5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 77305376
2-methyl-4-thiophen-2-yl-1,2,3,6-tetrahydropyridine
CID 69191672
2-(4-thiophen-2-ylphenyl)morpholine
CID 82085892
6-methyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859406
(3aR,6aS)-5-(6-bromo-5-methyl-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 87915320
5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60972638
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 120656744
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
2-(cyclohexen-1-yl)thiophene;N-methylmethanamine
CID 142891098
N-(azetidin-3-yl)-6-thiophen-2-ylpyrimidin-4-amine
CID 126848860

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 90224764) is (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is C1=C(c2cccs2)C[C@H]2CNC[C@@H]12.
What is the InChIKey of (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is ZKNADTRJCGWYOL-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-11(13-3-1)8-4-9-6-12-7-10(9)5-8/h1-4,9-10,12H,5-7H2/t9-,10+/m1/s1.
What are the key properties of (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
(3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 191.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-thiophen-2-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 90224764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).