5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide

C11H15BrN2OS — CID 115271454

IUPAC5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESCNCC1(CNC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H15BrN2OS/c1-13-6-11(4-5-11)7-14-10(15)8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3,(H,14,15)
InChIKeyNIAJISOPUMCVJS-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.24
Rot. Bonds5

About 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide

5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide (PubChem CID 115271454) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
PubChem CID115271454
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESCNCC1(CNC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C11H15BrN2OS/c1-13-6-11(4-5-11)7-14-10(15)8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3,(H,14,15)
InChIKeyNIAJISOPUMCVJS-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
CID 115267378
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
5-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]furan-2-carboxamide
CID 115271474
5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 47098883
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide (CID 115271454) is 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide is CNCC1(CNC(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The InChIKey is NIAJISOPUMCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-13-6-11(4-5-11)7-14-10(15)8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115271454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).