2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine

C11H17NS — CID 66468514

IUPAC2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
SMILESCCC1(Cc2cccs2)CCCN1
InChIInChI=1S/C11H17NS/c1-2-11(6-4-7-12-11)9-10-5-3-8-13-10/h3,5,8,12H,2,4,6-7,9H2,1H3
InChIKeyBSVNJCZOXUJANP-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.82
Rot. Bonds3

About 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine

2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine (PubChem CID 66468514) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
PubChem CID66468514
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
SMILESCCC1(Cc2cccs2)CCCN1
InChIInChI=1S/C11H17NS/c1-2-11(6-4-7-12-11)9-10-5-3-8-13-10/h3,5,8,12H,2,4,6-7,9H2,1H3
InChIKeyBSVNJCZOXUJANP-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467603
2-ethyl-2-(2-thiophen-2-ylethyl)piperidine
CID 117271805
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 83073731
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211
2-[(2-ethylpiperidin-2-yl)methyl]phenol
CID 115058890
5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 104688179
3-fluoro-3-(thiophen-2-ylmethyl)piperidine
CID 83819153
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
CID 114554671
2-ethyl-2-[(2-methyl-1-benzofuran-3-yl)methyl]pyrrolidine
CID 104688313
3,3-diethyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64871653
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 104688281

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine (CID 66468514) is 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine is CCC1(Cc2cccs2)CCCN1.
What is the InChIKey of 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine?
The InChIKey is BSVNJCZOXUJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-11(6-4-7-12-11)9-10-5-3-8-13-10/h3,5,8,12H,2,4,6-7,9H2,1H3.
What are the key properties of 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine?
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine has a molecular weight of 195.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 66468514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).