1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine

C11H16BrNS — CID 115688536

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
SMILESCCC1CCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNS/c1-2-9-5-6-13(7-9)8-10-3-4-11(12)14-10/h3-4,9H,2,5-8H2,1H3
InChIKeyOAFHXVVLQNRKPA-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.74
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine

1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine (PubChem CID 115688536) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
PubChem CID115688536
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
SMILESCCC1CCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNS/c1-2-9-5-6-13(7-9)8-10-3-4-11(12)14-10/h3-4,9H,2,5-8H2,1H3
InChIKeyOAFHXVVLQNRKPA-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648359
1-[(5-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219165
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
2-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79608935
4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine
CID 63635018
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine (CID 115688536) is 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine is CCC1CCN(Cc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine?
The InChIKey is OAFHXVVLQNRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-2-9-5-6-13(7-9)8-10-3-4-11(12)14-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine?
1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine has a molecular weight of 274.23 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine is sourced from PubChem (CID 115688536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).