5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide

C13H19BrN2OS — CID 105418295

IUPAC5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H19BrN2OS/c1-15(2)13(5-4-6-13)9-16(3)12(17)10-7-11(14)18-8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyXCCHYUFGVNWRSO-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide

5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide (PubChem CID 105418295) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
PubChem CID105418295
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H19BrN2OS/c1-15(2)13(5-4-6-13)9-16(3)12(17)10-7-11(14)18-8-10/h7-8H,4-6,9H2,1-3H3
InChIKeyXCCHYUFGVNWRSO-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
4-amino-3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105417543
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
5-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 105420013
5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
CID 103737497
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridine-4-carboxamide
CID 105416236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide (CID 105418295) is 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is XCCHYUFGVNWRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-15(2)13(5-4-6-13)9-16(3)12(17)10-7-11(14)18-8-10/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 105418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).