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

C11H16BrClN2OS — CID 119293813

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/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;1H
InChIKeyJZLHLBULDOFZGB-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.64
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119293813) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119293813
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cc(Br)cs1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/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;1H
InChIKeyJZLHLBULDOFZGB-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
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
(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-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-N-methylcyclopentane-1-carboxamide
CID 110015284
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N-[(5-bromo-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115159785

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 119293813) is N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is CN(Cc1cc(Br)cs1)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JZLHLBULDOFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/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;1H.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride?
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).