3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide

C11H17BrN2OS — CID 115155059

IUPAC3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCc1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-11(2,13)6-10(15)14-4-3-9-5-8(12)7-16-9/h5,7H,3-4,6,13H2,1-2H3,(H,14,15)
InChIKeyMBYIAYAZOFTKIU-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide

3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide (PubChem CID 115155059) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
PubChem CID115155059
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCc1cc(Br)cs1
InChIInChI=1S/C11H17BrN2OS/c1-11(2,13)6-10(15)14-4-3-9-5-8(12)7-16-9/h5,7H,3-4,6,13H2,1-2H3,(H,14,15)
InChIKeyMBYIAYAZOFTKIU-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromothiophen-2-yl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165281
4-[2-(4-bromothiophen-2-yl)ethylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164883
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942
2-amino-4-[2-(4-bromothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181152
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
4-amino-N-[2-(4-bromothiophen-2-yl)ethyl]benzamide
CID 115161035
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119499711
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567
3-amino-N-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 115155049
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
4-(4-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 82489193
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide (CID 115155059) is 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide is CC(C)(N)CC(=O)NCCc1cc(Br)cs1.
What is the InChIKey of 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide?
The InChIKey is MBYIAYAZOFTKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(2,13)6-10(15)14-4-3-9-5-8(12)7-16-9/h5,7H,3-4,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide?
3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 115155059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).