5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide

C11H14BrNOS — CID 103737497

IUPAC5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
SMILESCC1(CNC(=O)c2csc(Br)c2)CCC1
InChIInChI=1S/C11H14BrNOS/c1-11(3-2-4-11)7-13-10(14)8-5-9(12)15-6-8/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyRLKIBHWMRRVDBN-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.43
Rot. Bonds3

About 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide (PubChem CID 103737497) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
PubChem CID103737497
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
SMILESCC1(CNC(=O)c2csc(Br)c2)CCC1
InChIInChI=1S/C11H14BrNOS/c1-11(3-2-4-11)7-13-10(14)8-5-9(12)15-6-8/h5-6H,2-4,7H2,1H3,(H,13,14)
InChIKeyRLKIBHWMRRVDBN-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
CID 107966324
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
CID 115764922
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide (CID 103737497) is 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide is CC1(CNC(=O)c2csc(Br)c2)CCC1.
What is the InChIKey of 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide?
The InChIKey is RLKIBHWMRRVDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-11(3-2-4-11)7-13-10(14)8-5-9(12)15-6-8/h5-6H,2-4,7H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 103737497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).