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

C11H16BrNS — CID 79037902

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
SMILESCC1(C)CCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNS/c1-11(2)5-6-13(8-11)7-9-3-4-10(12)14-9/h3-4H,5-8H2,1-2H3
InChIKeyJPDHXWVQIKIJLV-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.74
Rot. Bonds2

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

1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine (PubChem CID 79037902) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
PubChem CID79037902
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
SMILESCC1(C)CCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNS/c1-11(2)5-6-13(8-11)7-9-3-4-10(12)14-9/h3-4H,5-8H2,1-2H3
InChIKeyJPDHXWVQIKIJLV-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylazepane
CID 65282791
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728565
5-[(5-bromothiophen-2-yl)methyl]-5-azaspiro[2.4]heptane
CID 131000912
1-[(5-bromothiophen-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709452
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64869691
1-[(5-bromothiophen-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126534
N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557194
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[(5-bromothiophen-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 55166663
1-[(5-bromothiophen-2-yl)methyl]-3-methyl-3-phenyl-1,4-diazepane
CID 64871911
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
(1-aminocyclohexyl)-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 119832814

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine (CID 79037902) is 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine is CC1(C)CCN(Cc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine?
The InChIKey is JPDHXWVQIKIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-11(2)5-6-13(8-11)7-9-3-4-10(12)14-9/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine?
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine has a molecular weight of 274.23 g/mol, XLogP of 3.74, 2 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]-3,3-dimethylpyrrolidine is sourced from PubChem (CID 79037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).