N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide

C12H19BrN2OS — CID 115187675

IUPACN-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)N(C)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C12H19BrN2OS/c1-8(2)9(7-14-3)12(16)15(4)11-6-5-10(13)17-11/h5-6,8-9,14H,7H2,1-4H3
InChIKeyKZXYCPKTORROQJ-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.96
Rot. Bonds5

About N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide

N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide (PubChem CID 115187675) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
PubChem CID115187675
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)N(C)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C12H19BrN2OS/c1-8(2)9(7-14-3)12(16)15(4)11-6-5-10(13)17-11/h5-6,8-9,14H,7H2,1-4H3
InChIKeyKZXYCPKTORROQJ-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
1-(5-bromothiophen-2-yl)-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923505
N-(5-bromothiophen-2-yl)-N-methylcarbamoyl bromide
CID 115193397
N-(5-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167022
N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187668
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide
CID 79195708
N-(5-bromothiophen-2-yl)-N-methyl-4-oxopentanamide
CID 115176777
3-amino-N-(5-bromothiophen-2-yl)-N,3-dimethylbutanamide
CID 115154895
N-(5-bromothiophen-2-yl)-3-cyano-N-methylpropanamide
CID 115173629
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
4-[(5-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220620
1-(5-bromothiophen-2-yl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826737

Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide (CID 115187675) is N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide is CNCC(C(=O)N(C)c1ccc(Br)s1)C(C)C.
What is the InChIKey of N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The InChIKey is KZXYCPKTORROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-8(2)9(7-14-3)12(16)15(4)11-6-5-10(13)17-11/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide has a molecular weight of 319.27 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)-N,3-dimethyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115187675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).