N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride

C10H16BrClN2OS — CID 119585249

IUPACN-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-7(6-12)13(2)10(14)5-8-3-4-9(11)15-8;/h3-4,7H,5-6,12H2,1-2H3;1H
InChIKeyVYIZVBBWVAYTNG-UHFFFAOYSA-N
MW327.68 g/mol
LogP2.28
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride (PubChem CID 119585249) has the molecular formula C10H16BrClN2OS and a molecular weight of 327.68 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
PubChem CID119585249
Molecular FormulaC10H16BrClN2OS
Molecular Weight327.68 g/mol
Exact Mass325.99
IUPAC NameN-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-7(6-12)13(2)10(14)5-8-3-4-9(11)15-8;/h3-4,7H,5-6,12H2,1-2H3;1H
InChIKeyVYIZVBBWVAYTNG-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride
CID 119585221
3-[[2-(5-bromothiophen-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228438
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119588799
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563
N-(1-aminopropan-2-yl)-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119583475
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
N-(1-aminopropan-2-yl)-2-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 119583075
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride (CID 119585249) is N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)Cc1ccc(Br)s1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride?
The InChIKey is VYIZVBBWVAYTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS.ClH/c1-7(6-12)13(2)10(14)5-8-3-4-9(11)15-8;/h3-4,7H,5-6,12H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride has a molecular weight of 327.68 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119585249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).