1-(5-methylthiophen-2-yl)pyrrolidine

C9H13NS — CID 18338310

IUPAC1-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc(N2CCCC2)s1
InChIInChI=1S/C9H13NS/c1-8-4-5-9(11-8)10-6-2-3-7-10/h4-5H,2-3,6-7H2,1H3
InChIKeyBJKPQSFOFXGLAS-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.66
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)pyrrolidine

1-(5-methylthiophen-2-yl)pyrrolidine (PubChem CID 18338310) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)pyrrolidine
PubChem CID18338310
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name1-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc(N2CCCC2)s1
InChIInChI=1S/C9H13NS/c1-8-4-5-9(11-8)10-6-2-3-7-10/h4-5H,2-3,6-7H2,1H3
InChIKeyBJKPQSFOFXGLAS-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)pyrrolidine?
The IUPAC name of 1-(5-methylthiophen-2-yl)pyrrolidine (CID 18338310) is 1-(5-methylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)pyrrolidine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)pyrrolidine is Cc1ccc(N2CCCC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)pyrrolidine?
The InChIKey is BJKPQSFOFXGLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-8-4-5-9(11-8)10-6-2-3-7-10/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)pyrrolidine?
1-(5-methylthiophen-2-yl)pyrrolidine has a molecular weight of 167.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)pyrrolidine is sourced from PubChem (CID 18338310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).