2-(5-methylthiophen-2-yl)pyrrolidine

C9H13NS — CID 5126319

IUPAC2-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc(C2CCCN2)s1
InChIInChI=1S/C9H13NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3
InChIKeyWBJASOWBXMIUHI-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.48
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)pyrrolidine

2-(5-methylthiophen-2-yl)pyrrolidine (PubChem CID 5126319) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)pyrrolidine
PubChem CID5126319
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc(C2CCCN2)s1
InChIInChI=1S/C9H13NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3
InChIKeyWBJASOWBXMIUHI-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)pyrrolidine?
The IUPAC name of 2-(5-methylthiophen-2-yl)pyrrolidine (CID 5126319) is 2-(5-methylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)pyrrolidine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)pyrrolidine is Cc1ccc(C2CCCN2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)pyrrolidine?
The InChIKey is WBJASOWBXMIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)pyrrolidine?
2-(5-methylthiophen-2-yl)pyrrolidine has a molecular weight of 167.28 g/mol, XLogP of 2.48, 1 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)pyrrolidine is sourced from PubChem (CID 5126319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).