3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide

C11H17BrN2OS — CID 115154691

IUPAC3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)C(C)(C)CN
InChIInChI=1S/C11H17BrN2OS/c1-11(2,7-13)10(15)14(3)6-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3
InChIKeyFYAFHQPBHJZNLZ-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide

3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 115154691) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID115154691
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)C(C)(C)CN
InChIInChI=1S/C11H17BrN2OS/c1-11(2,7-13)10(15)14(3)6-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3
InChIKeyFYAFHQPBHJZNLZ-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2,2-trimethylpropanamide
CID 115154760
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
CID 115152784
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide (CID 115154691) is 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide is CN(Cc1ccc(Br)s1)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is FYAFHQPBHJZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(2,7-13)10(15)14(3)6-8-4-5-9(12)16-8/h4-5H,6-7,13H2,1-3H3.
What are the key properties of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 305.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115154691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).