2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide

C10H15BrN2OS — CID 60670568

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-12(2)10(14)7-13(3)6-8-4-5-9(11)15-8/h4-5H,6-7H2,1-3H3
InChIKeyGBEFOCBMIKKXBW-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.03
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 60670568) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID60670568
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-12(2)10(14)7-13(3)6-8-4-5-9(11)15-8/h4-5H,6-7H2,1-3H3
InChIKeyGBEFOCBMIKKXBW-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 63378189
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-ethylacetamide
CID 60670553
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 40702203
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873746
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 9299122
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 9299662
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(butylcarbamoyl)acetamide
CID 26650831
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84973908

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide (CID 60670568) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is GBEFOCBMIKKXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-12(2)10(14)7-13(3)6-8-4-5-9(11)15-8/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 291.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60670568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).