2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide

C11H17BrN2OS — CID 106344151

IUPAC2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1sccc1Br
InChIInChI=1S/C11H17BrN2OS/c1-6(2)9(11(13)15)14-7(3)10-8(12)4-5-16-10/h4-7,9,14H,1-3H3,(H2,13,15)
InChIKeyIONFLGLKIRHBHQ-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.67
Rot. Bonds5

About 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide

2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide (PubChem CID 106344151) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
PubChem CID106344151
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
SMILESCC(NC(C(N)=O)C(C)C)c1sccc1Br
InChIInChI=1S/C11H17BrN2OS/c1-6(2)9(11(13)15)14-7(3)10-8(12)4-5-16-10/h4-7,9,14H,1-3H3,(H2,13,15)
InChIKeyIONFLGLKIRHBHQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
CID 61498304
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
2-[1-(2,4-dibromophenyl)ethylamino]-3-methylbutanamide
CID 106344290
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]butyl]carbamate
CID 107250780
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286
ethyl 2-(3-bromothiophen-2-yl)-2-(butan-2-ylamino)acetate
CID 115380668
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide?
The IUPAC name of 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide (CID 106344151) is 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide?
The canonical SMILES for 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide is CC(NC(C(N)=O)C(C)C)c1sccc1Br.
What is the InChIKey of 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide?
The InChIKey is IONFLGLKIRHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-6(2)9(11(13)15)14-7(3)10-8(12)4-5-16-10/h4-7,9,14H,1-3H3,(H2,13,15).
What are the key properties of 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide?
2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide is sourced from PubChem (CID 106344151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).