N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide

C10H15BrN2OS — CID 115188720

IUPACN-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)Nc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-3-7(6-12-2)10(14)13-9-5-4-8(11)15-9/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyIBAKSKHWBPCZPT-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.69
Rot. Bonds5

About N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide

N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide (PubChem CID 115188720) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
PubChem CID115188720
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC NameN-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide
SMILESCCC(CNC)C(=O)Nc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-3-7(6-12-2)10(14)13-9-5-4-8(11)15-9/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyIBAKSKHWBPCZPT-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-bromothiophen-2-yl)carbamoyl]butanoate
CID 115187822
2-(methylaminomethyl)-N-(3-methylthiophen-2-yl)butanamide
CID 115188778
1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826737
2-(methylaminomethyl)-N-(2,3,5,6-tetramethylphenyl)butanamide
CID 115188725
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762
1-(4-bromophenyl)-2-(methylaminomethyl)butan-1-one
CID 116923854
N-[2-(2-bromophenyl)ethyl]-2-(methylaminomethyl)butanamide
CID 115188974
methyl 2-[(5-bromothiophen-2-yl)amino]-2-oxoacetate
CID 115142150
1-(5-bromothiophen-2-yl)-3-(2-oxopropyl)urea
CID 117235224
1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923505
N-(5-bromothiophen-2-yl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150612
3-(methylaminomethyl)heptan-4-one
CID 116923839

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide (CID 115188720) is N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide is CCC(CNC)C(=O)Nc1ccc(Br)s1.
What is the InChIKey of N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide?
The InChIKey is IBAKSKHWBPCZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-3-7(6-12-2)10(14)13-9-5-4-8(11)15-9/h4-5,7,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide?
N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide has a molecular weight of 291.21 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115188720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).