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

C11H15BrN2OS — CID 61162812

IUPAC(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H15BrN2OS/c1-14(6-9-5-8(12)7-16-9)11(15)10-3-2-4-13-10/h5,7,10,13H,2-4,6H2,1H3/t10-/m0/s1
InChIKeyRTMFVJVTQHCGFN-JTQLQIEISA-N
MW303.23 g/mol
LogP2.22
Rot. Bonds3

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

(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 61162812) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID61162812
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H15BrN2OS/c1-14(6-9-5-8(12)7-16-9)11(15)10-3-2-4-13-10/h5,7,10,13H,2-4,6H2,1H3/t10-/m0/s1
InChIKeyRTMFVJVTQHCGFN-JTQLQIEISA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-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

N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119731625
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785
(3R)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163193
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 61162812) is (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CN(Cc1cc(Br)cs1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RTMFVJVTQHCGFN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-14(6-9-5-8(12)7-16-9)11(15)10-3-2-4-13-10/h5,7,10,13H,2-4,6H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61162812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).