1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

C11H13BrN2O2S — CID 63374706

IUPAC1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1sccc1Br
InChIInChI=1S/C11H13BrN2O2S/c1-13-10(15)8-3-2-5-14(8)11(16)9-7(12)4-6-17-9/h4,6,8H,2-3,5H2,1H3,(H,13,15)
InChIKeyRWZIGGJDPQMIQV-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.86
Rot. Bonds2

About 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide

1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 63374706) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID63374706
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1sccc1Br
InChIInChI=1S/C11H13BrN2O2S/c1-13-10(15)8-3-2-5-14(8)11(16)9-7(12)4-6-17-9/h4,6,8H,2-3,5H2,1H3,(H,13,15)
InChIKeyRWZIGGJDPQMIQV-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61106763
(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79034454
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 63086030
(3-bromothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261291
1-(2-bromo-5-sulfanylbenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 107026043
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
methyl 1-(3-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80640905
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(3-bromothiophen-2-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103715039
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-bromothiophen-2-yl)methanone
CID 94487472

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 63374706) is 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RWZIGGJDPQMIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-13-10(15)8-3-2-5-14(8)11(16)9-7(12)4-6-17-9/h4,6,8H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide?
1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 317.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).