4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide

C11H17BrN2OS — CID 79991570

IUPAC4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
SMILESCc1cc(C(N)CC(C)(C)C(N)=O)sc1Br
InChIInChI=1S/C11H17BrN2OS/c1-6-4-8(16-9(6)12)7(13)5-11(2,3)10(14)15/h4,7H,5,13H2,1-3H3,(H2,14,15)
InChIKeyKRJBKZOQGIEKLG-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.72
Rot. Bonds4

About 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide

4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide (PubChem CID 79991570) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
PubChem CID79991570
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
SMILESCc1cc(C(N)CC(C)(C)C(N)=O)sc1Br
InChIInChI=1S/C11H17BrN2OS/c1-6-4-8(16-9(6)12)7(13)5-11(2,3)10(14)15/h4,7H,5,13H2,1-3H3,(H2,14,15)
InChIKeyKRJBKZOQGIEKLG-UHFFFAOYSA-N
XLogP2.72
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanoate
CID 79991140
4-amino-4-(5-bromo-4-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 80532114
ethyl 5-amino-5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethylpentanoate
CID 79991353
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
CID 79991245
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide (CID 79991570) is 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide is Cc1cc(C(N)CC(C)(C)C(N)=O)sc1Br.
What is the InChIKey of 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide?
The InChIKey is KRJBKZOQGIEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-6-4-8(16-9(6)12)7(13)5-11(2,3)10(14)15/h4,7H,5,13H2,1-3H3,(H2,14,15).
What are the key properties of 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide?
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 79991570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).