4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide

C11H17BrN2OS — CID 115156082

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(5-6-13)11(15)14(2)7-9-3-4-10(12)16-9/h3-4,8H,5-7,13H2,1-2H3
InChIKeyMUTWRGHISUYCSY-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.45
Rot. Bonds5

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide (PubChem CID 115156082) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
PubChem CID115156082
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(5-6-13)11(15)14(2)7-9-3-4-10(12)16-9/h3-4,8H,5-7,13H2,1-2H3
InChIKeyMUTWRGHISUYCSY-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 30396608
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
2-benzylsulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 55773778
N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792232
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497542

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide (CID 115156082) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide is CC(CCN)C(=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide?
The InChIKey is MUTWRGHISUYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8(5-6-13)11(15)14(2)7-9-3-4-10(12)16-9/h3-4,8H,5-7,13H2,1-2H3.
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 115156082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).