N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide

C11H15BrN2OS — CID 63714977

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-7-4-13-6-9(7)11(15)14-5-8-2-3-10(12)16-8/h2-3,7,9,13H,4-6H2,1H3,(H,14,15)
InChIKeyBWXKPBUTIOMKGH-UHFFFAOYSA-N
MW303.23 g/mol
LogP1.98
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714977) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63714977
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-7-4-13-6-9(7)11(15)14-5-8-2-3-10(12)16-8/h2-3,7,9,13H,4-6H2,1H3,(H,14,15)
InChIKeyBWXKPBUTIOMKGH-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide 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

4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822331
3-[(5-bromothiophen-2-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835040
2-(azetidin-3-ylidene)-N-[(5-bromothiophen-2-yl)methyl]propanamide
CID 116676810
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628561
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208355
N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63715120

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 63714977) is N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is BWXKPBUTIOMKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-7-4-13-6-9(7)11(15)14-5-8-2-3-10(12)16-8/h2-3,7,9,13H,4-6H2,1H3,(H,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).