5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

C12H15NS — CID 71262084

IUPAC5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCc1cscc1C1=CC2CNCC2C1
InChIInChI=1S/C12H15NS/c1-8-6-14-7-12(8)9-2-10-4-13-5-11(10)3-9/h2,6-7,10-11,13H,3-5H2,1H3
InChIKeyYGYXCINZIZIOFM-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.68
Rot. Bonds1

About 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 71262084) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID71262084
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCc1cscc1C1=CC2CNCC2C1
InChIInChI=1S/C12H15NS/c1-8-6-14-7-12(8)9-2-10-4-13-5-11(10)3-9/h2,6-7,10-11,13H,3-5H2,1H3
InChIKeyYGYXCINZIZIOFM-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 71262084) is 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is Cc1cscc1C1=CC2CNCC2C1.
What is the InChIKey of 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is YGYXCINZIZIOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-6-14-7-12(8)9-2-10-4-13-5-11(10)3-9/h2,6-7,10-11,13H,3-5H2,1H3.
What are the key properties of 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 205.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-3-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 71262084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).