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

C10H15BrN2OS — CID 60947450

IUPAC3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-7(12)3-10(14)13(2)5-9-4-8(11)6-15-9/h4,6-7H,3,5,12H2,1-2H3
InChIKeyUFADGBJYGZONNF-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.21
Rot. Bonds4

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

3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide (PubChem CID 60947450) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
PubChem CID60947450
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-7(12)3-10(14)13(2)5-9-4-8(11)6-15-9/h4,6-7H,3,5,12H2,1-2H3
InChIKeyUFADGBJYGZONNF-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide 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-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 81087845
4-amino-N-[(4-bromothiophen-2-yl)methyl]-3-ethoxy-N-methylbutanamide
CID 114227354
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
2-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropanamide
CID 115152569
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 114328199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide (CID 60947450) is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide is CC(N)CC(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
The InChIKey is UFADGBJYGZONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-7(12)3-10(14)13(2)5-9-4-8(11)6-15-9/h4,6-7H,3,5,12H2,1-2H3.
What are the key properties of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide?
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide has a molecular weight of 291.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide is sourced from PubChem (CID 60947450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).