1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide

C11H15BrN2OS — CID 47424733

IUPAC1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-13-11(15)9-3-2-6-14(9)7-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyWWGNWJISLXUDJZ-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.22
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide

1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 47424733) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID47424733
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-13-11(15)9-3-2-6-14(9)7-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyWWGNWJISLXUDJZ-UHFFFAOYSA-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

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Related Compounds

3-[5-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76917693
(2R)-1-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 99816776
1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 48542178
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
methyl 3-bromo-4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate
CID 102767290
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 47424733) is 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is WWGNWJISLXUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-13-11(15)9-3-2-6-14(9)7-8-4-5-10(12)16-8/h4-5,9H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(5-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 1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47424733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).