3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine

C11H16BrNS — CID 115381430

IUPAC3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1NC(C)CC1c1sccc1Br
InChIInChI=1S/C11H16BrNS/c1-3-10-8(6-7(2)13-10)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3
InChIKeySWBBFWSSPGMZEC-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.75
Rot. Bonds2

About 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine

3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine (PubChem CID 115381430) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
PubChem CID115381430
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1NC(C)CC1c1sccc1Br
InChIInChI=1S/C11H16BrNS/c1-3-10-8(6-7(2)13-10)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3
InChIKeySWBBFWSSPGMZEC-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 102844815
3-bromo-2-(2-bromocyclopropyl)thiophene
CID 130539869
[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methanamine
CID 81010319
3-(3-bromothiophen-2-yl)-8-azabicyclo[3.2.1]octane
CID 130493813
N-[[2-(3-bromothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031360
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
1-[2-(3-bromothiophen-2-yl)cyclobutyl]-N-methylmethanamine
CID 81017794
(2S)-2-(3-bromothiophen-2-yl)azetidine
CID 130886552
3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
2-(3-bromothiophen-2-yl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 113298293
(2R)-2-(3-bromothiophen-2-yl)piperazine
CID 130612052
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine (CID 115381430) is 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine is CCC1NC(C)CC1c1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
The InChIKey is SWBBFWSSPGMZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-3-10-8(6-7(2)13-10)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine has a molecular weight of 274.23 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 115381430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).