2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide

C9H13BrN2OS — CID 61265834

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-9(2,11)8(13)12-5-6-3-4-7(10)14-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyURVTVRIQUJAONR-UHFFFAOYSA-N
MW277.19 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide

2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide (PubChem CID 61265834) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
PubChem CID61265834
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C9H13BrN2OS/c1-9(2,11)8(13)12-5-6-3-4-7(10)14-6/h3-4H,5,11H2,1-2H3,(H,12,13)
InChIKeyURVTVRIQUJAONR-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 61165377
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 18073219
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
CID 47218768
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
tert-butyl N-[2-[[N-[(5-bromothiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111883485
3-[(5-bromothiophen-2-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835040
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-ethylbutanoic acid
CID 79804249
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide (CID 61265834) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide is CC(C)(N)C(=O)NCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide?
The InChIKey is URVTVRIQUJAONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c1-9(2,11)8(13)12-5-6-3-4-7(10)14-6/h3-4H,5,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide has a molecular weight of 277.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 61265834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).