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

C11H17BrN2OS — CID 81489561

IUPAC3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(C)CN
InChIInChI=1S/C11H17BrN2OS/c1-11(2,7-13)10(15)14(3)5-9-4-8(12)6-16-9/h4,6H,5,7,13H2,1-3H3
InChIKeyVZDCUILQTHDIGX-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.45
Rot. Bonds4

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

3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 81489561) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID81489561
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(C)CN
InChIInChI=1S/C11H17BrN2OS/c1-11(2,7-13)10(15)14(3)5-9-4-8(12)6-16-9/h4,6H,5,7,13H2,1-3H3
InChIKeyVZDCUILQTHDIGX-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide (CID 81489561) is 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide is CN(Cc1cc(Br)cs1)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is VZDCUILQTHDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-11(2,7-13)10(15)14(3)5-9-4-8(12)6-16-9/h4,6H,5,7,13H2,1-3H3.
What are the key properties of 3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide?
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 305.24 g/mol, XLogP of 2.45, 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,2,2-trimethylpropanamide is sourced from PubChem (CID 81489561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).