2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine

C13H21NS — CID 104688445

IUPAC2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
SMILESCc1ccc(CC2(C(C)C)CCCN2)s1
InChIInChI=1S/C13H21NS/c1-10(2)13(7-4-8-14-13)9-12-6-5-11(3)15-12/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyQOCFXLLSRAWLAB-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.38
Rot. Bonds3

About 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine

2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 104688445) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID104688445
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
SMILESCc1ccc(CC2(C(C)C)CCCN2)s1
InChIInChI=1S/C13H21NS/c1-10(2)13(7-4-8-14-13)9-12-6-5-11(3)15-12/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyQOCFXLLSRAWLAB-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine 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 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine (CID 104688445) is 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine is Cc1ccc(CC2(C(C)C)CCCN2)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is QOCFXLLSRAWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)13(7-4-8-14-13)9-12-6-5-11(3)15-12/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine?
2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 223.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 104688445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).