2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride

C11H18BrClN2OS — CID 115618450

IUPAC2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(C)(C)NCc1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-11(2,10(15)14(3)4)13-7-8-5-6-9(12)16-8;/h5-6,13H,7H2,1-4H3;1H
InChIKeyGDDKUCZERSHEIT-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.89
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride

2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride (PubChem CID 115618450) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
PubChem CID115618450
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride
SMILESCN(C)C(=O)C(C)(C)NCc1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-11(2,10(15)14(3)4)13-7-8-5-6-9(12)16-8;/h5-6,13H,7H2,1-4H3;1H
InChIKeyGDDKUCZERSHEIT-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 78969414
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
CID 115618466
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
CID 61265834
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 18073219
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
CID 115152784
2-[[N-[(5-bromothiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119132963
4-[(5-bromothiophen-2-yl)methylamino]-2,2-dimethylbutanoic acid
CID 115221121
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride (CID 115618450) is 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride is CN(C)C(=O)C(C)(C)NCc1ccc(Br)s1.Cl.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride?
The InChIKey is GDDKUCZERSHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-11(2,10(15)14(3)4)13-7-8-5-6-9(12)16-8;/h5-6,13H,7H2,1-4H3;1H.
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride?
2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylamino]-N,N,2-trimethylpropanamide;hydrochloride is sourced from PubChem (CID 115618450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).