2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide

C10H14Br2N2OS — CID 102831700

IUPAC2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1cc(Br)c(Br)s1)C(=O)N(C)C
InChIInChI=1S/C10H14Br2N2OS/c1-6(10(15)14(2)3)13-5-7-4-8(11)9(12)16-7/h4,6,13H,5H2,1-3H3
InChIKeyXKUGAWWVLCFJJW-UHFFFAOYSA-N
MW370.11 g/mol
LogP2.84
Rot. Bonds4

About 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide

2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 102831700) has the molecular formula C10H14Br2N2OS and a molecular weight of 370.11 g/mol. Its IUPAC name is 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID102831700
Molecular FormulaC10H14Br2N2OS
Molecular Weight370.11 g/mol
Exact Mass367.92
IUPAC Name2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1cc(Br)c(Br)s1)C(=O)N(C)C
InChIInChI=1S/C10H14Br2N2OS/c1-6(10(15)14(2)3)13-5-7-4-8(11)9(12)16-7/h4,6,13H,5H2,1-3H3
InChIKeyXKUGAWWVLCFJJW-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide 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

3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
(2R)-2-[(2-bromophenyl)methylamino]-N,N-dimethylpropanamide
CID 103735378
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664
N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
CID 102836205
2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propanamide
CID 115750331
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43622919
N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 102837684
2-[(2-bromo-4-nitrophenyl)methylamino]-N,N-dimethylpropanamide
CID 61464382
3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 102833214
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
N,N-dimethyl-2-[(2,4,5-trifluorophenyl)methylamino]propanamide
CID 103792586

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide (CID 102831700) is 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide is CC(NCc1cc(Br)c(Br)s1)C(=O)N(C)C.
What is the InChIKey of 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is XKUGAWWVLCFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2OS/c1-6(10(15)14(2)3)13-5-7-4-8(11)9(12)16-7/h4,6,13H,5H2,1-3H3.
What are the key properties of 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 370.11 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 102831700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).