methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate

C8H10BrNO2S — CID 43646902

IUPACmethyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
SMILESCOC(=O)CNCc1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-12-8(11)4-10-3-6-2-7(9)13-5-6/h2,5,10H,3-4H2,1H3
InChIKeyNOHQJYJIXUPHSU-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.77
Rot. Bonds4

About methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate

methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate (PubChem CID 43646902) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
PubChem CID43646902
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Namemethyl 2-[(5-bromothiophen-3-yl)methylamino]acetate
SMILESCOC(=O)CNCc1csc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-12-8(11)4-10-3-6-2-7(9)13-5-6/h2,5,10H,3-4H2,1H3
InChIKeyNOHQJYJIXUPHSU-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-3-yl)methylamino]acetonitrile
CID 130688668
methyl 2-[(3-bromo-5-methylphenyl)methylamino]acetate
CID 176676852
methyl 2-[(3,5-dimethylphenyl)methylamino]acetate
CID 60687760
methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145
4-[(5-bromothiophen-3-yl)methylamino]butanoic acid
CID 43473757
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
4-[[(5-bromothiophen-3-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531721
methyl 2-[(5-bromothiophen-3-yl)methyl-propylamino]acetate
CID 62011184
methyl 2-[(5-bromothiophen-3-yl)methylamino]-4-methylpentanoate
CID 43689088
2-[(5-bromothiophen-3-yl)methylamino]-2-methylpropanoic acid
CID 65263960
3-[(5-bromothiophen-3-yl)methylamino]-N-butan-2-ylpropanamide
CID 54893334

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate (CID 43646902) is methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate is COC(=O)CNCc1csc(Br)c1.
What is the InChIKey of methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate?
The InChIKey is NOHQJYJIXUPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-12-8(11)4-10-3-6-2-7(9)13-5-6/h2,5,10H,3-4H2,1H3.
What are the key properties of methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate?
methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate has a molecular weight of 264.14 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromothiophen-3-yl)methylamino]acetate is sourced from PubChem (CID 43646902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).