3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole

C13H17NS — CID 123893834

IUPAC3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCc1cscc1C1=CC2CNCC2(C)C1
InChIInChI=1S/C13H17NS/c1-9-6-15-7-12(9)10-3-11-5-14-8-13(11,2)4-10/h3,6-7,11,14H,4-5,8H2,1-2H3
InChIKeyPZTFMRUVRCVGKH-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.07
Rot. Bonds1

About 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole

3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole (PubChem CID 123893834) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
PubChem CID123893834
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESCc1cscc1C1=CC2CNCC2(C)C1
InChIInChI=1S/C13H17NS/c1-9-6-15-7-12(9)10-3-11-5-14-8-13(11,2)4-10/h3,6-7,11,14H,4-5,8H2,1-2H3
InChIKeyPZTFMRUVRCVGKH-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole (CID 123893834) is 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole is Cc1cscc1C1=CC2CNCC2(C)C1.
What is the InChIKey of 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is PZTFMRUVRCVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9-6-15-7-12(9)10-3-11-5-14-8-13(11,2)4-10/h3,6-7,11,14H,4-5,8H2,1-2H3.
What are the key properties of 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 219.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-5-(4-methylthiophen-3-yl)-2,3,4,6a-tetrahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 123893834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).