3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine

C11H15BrClNS — CID 102844815

IUPAC3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1NC(C)CC1c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H15BrClNS/c1-3-9-7(4-6(2)14-9)10-5-8(12)11(13)15-10/h5-7,9,14H,3-4H2,1-2H3
InChIKeyYXZOYAWLTHJVCE-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.41
Rot. Bonds2

About 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine

3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine (PubChem CID 102844815) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
PubChem CID102844815
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC Name3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
SMILESCCC1NC(C)CC1c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H15BrClNS/c1-3-9-7(4-6(2)14-9)10-5-8(12)11(13)15-10/h5-7,9,14H,3-4H2,1-2H3
InChIKeyYXZOYAWLTHJVCE-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine
CID 102844812
3-(4-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 79427011
3-(3-bromothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 115381430
3-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrrolidine
CID 114866783
2-ethyl-5-methyl-3-(2,4,5-trifluorophenyl)pyrrolidine
CID 114058126
1-cyclopropyl-5-(2-ethyl-5-methylpyrrolidin-3-yl)imidazole
CID 66164724
5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
CID 136964622
4-(4-bromo-5-chlorothiophen-2-yl)-3-(4-bromophenyl)piperidine
CID 102845481
5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
CID 103439847
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
4-bromo-5-chlorothiophene-2-thiol
CID 102829034
3-bromo-2-chloro-5-methylthiophene
CID 20732074

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine (CID 102844815) is 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine is CCC1NC(C)CC1c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
The InChIKey is YXZOYAWLTHJVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNS/c1-3-9-7(4-6(2)14-9)10-5-8(12)11(13)15-10/h5-7,9,14H,3-4H2,1-2H3.
What are the key properties of 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine?
3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine has a molecular weight of 308.67 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 102844815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).