3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride

C10H16BrClN2OS — CID 119688978

IUPAC3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-7(12)5-10(14)13(2)6-8-3-4-9(11)15-8;/h3-4,7H,5-6,12H2,1-2H3;1H
InChIKeyQTRNCRGFUSYBRX-UHFFFAOYSA-N
MW327.68 g/mol
LogP2.63
Rot. Bonds4

About 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride

3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride (PubChem CID 119688978) has the molecular formula C10H16BrClN2OS and a molecular weight of 327.68 g/mol. Its IUPAC name is 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
PubChem CID119688978
Molecular FormulaC10H16BrClN2OS
Molecular Weight327.68 g/mol
Exact Mass325.99
IUPAC Name3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C10H15BrN2OS.ClH/c1-7(12)5-10(14)13(2)6-8-3-4-9(11)15-8;/h3-4,7H,5-6,12H2,1-2H3;1H
InChIKeyQTRNCRGFUSYBRX-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
CID 119585249

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride (CID 119688978) is 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride is CC(N)CC(=O)N(C)Cc1ccc(Br)s1.Cl.
What is the InChIKey of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride?
The InChIKey is QTRNCRGFUSYBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS.ClH/c1-7(12)5-10(14)13(2)6-8-3-4-9(11)15-8;/h3-4,7H,5-6,12H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride?
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride has a molecular weight of 327.68 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119688978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).