2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine

C12H18BrNS — CID 102845951

IUPAC2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2cc(Br)c(C)s2)CCCN1
InChIInChI=1S/C12H18BrNS/c1-3-12(5-4-6-14-12)8-10-7-11(13)9(2)15-10/h7,14H,3-6,8H2,1-2H3
InChIKeyIGZWDMGAHVAAKV-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.89
Rot. Bonds3

About 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine

2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine (PubChem CID 102845951) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine
PubChem CID102845951
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine
SMILESCCC1(Cc2cc(Br)c(C)s2)CCCN1
InChIInChI=1S/C12H18BrNS/c1-3-12(5-4-6-14-12)8-10-7-11(13)9(2)15-10/h7,14H,3-6,8H2,1-2H3
InChIKeyIGZWDMGAHVAAKV-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 104688179
2-[(3-bromo-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 105411973
2-ethyl-2-(thiophen-2-ylmethyl)pyrrolidine
CID 66468514
2-[(2-bromophenyl)methyl]-2-ethylpiperidine
CID 115058886
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
CID 66468528
2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66466909
3-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,5-trimethylpyrrole
CID 104688231
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 106819392
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole
CID 114554671
2-ethyl-2-[(4-methylphenyl)methyl]piperidine
CID 115058967
4-bromo-1-ethyl-5-[(2-ethylpyrrolidin-2-yl)methyl]-3-methylpyrazole
CID 66466236
2-[(2-ethylpyrrolidin-2-yl)methyl]-5-methylpyridine
CID 104688305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine?
The IUPAC name of 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine (CID 102845951) is 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine.
What is the SMILES notation for 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine?
The canonical SMILES for 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine is CCC1(Cc2cc(Br)c(C)s2)CCCN1.
What is the InChIKey of 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine?
The InChIKey is IGZWDMGAHVAAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-3-12(5-4-6-14-12)8-10-7-11(13)9(2)15-10/h7,14H,3-6,8H2,1-2H3.
What are the key properties of 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine?
2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine has a molecular weight of 288.25 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethylpyrrolidine is sourced from PubChem (CID 102845951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).