2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine

C13H20BrNS — CID 80690784

IUPAC2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine
SMILESBrCCCC1CCCN1CCc1cccs1
InChIInChI=1S/C13H20BrNS/c14-8-1-4-12-5-2-9-15(12)10-7-13-6-3-11-16-13/h3,6,11-12H,1-2,4-5,7-10H2
InChIKeySXWULUHIRJAANZ-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.93
Rot. Bonds6

About 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine

2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine (PubChem CID 80690784) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine
PubChem CID80690784
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine
SMILESBrCCCC1CCCN1CCc1cccs1
InChIInChI=1S/C13H20BrNS/c14-8-1-4-12-5-2-9-15(12)10-7-13-6-3-11-16-13/h3,6,11-12H,1-2,4-5,7-10H2
InChIKeySXWULUHIRJAANZ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 63775037
3,5-dimethyl-1-[[(2S)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305451
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 28954884
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
2-pyrrolidin-2-yl-1-(2-thiophen-2-ylethyl)piperidine
CID 63775718
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine (CID 80690784) is 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine is BrCCCC1CCCN1CCc1cccs1.
What is the InChIKey of 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine?
The InChIKey is SXWULUHIRJAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c14-8-1-4-12-5-2-9-15(12)10-7-13-6-3-11-16-13/h3,6,11-12H,1-2,4-5,7-10H2.
What are the key properties of 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine?
2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine has a molecular weight of 302.28 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine is sourced from PubChem (CID 80690784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).