3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide

C10H15BrN2OS — CID 60926272

IUPAC3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-13(2)10(14)3-4-12-6-9-5-8(11)7-15-9/h5,7,12H,3-4,6H2,1-2H3
InChIKeyVJQOISQXQAHFNM-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.08
Rot. Bonds5

About 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide

3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 60926272) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID60926272
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cc(Br)cs1
InChIInChI=1S/C10H15BrN2OS/c1-13(2)10(14)3-4-12-6-9-5-8(11)7-15-9/h5,7,12H,3-4,6H2,1-2H3
InChIKeyVJQOISQXQAHFNM-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193
4-[(4-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 115220747
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79859514
3-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926484
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 62561559
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581259
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560033
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62556848
N-[(4-bromothiophen-2-yl)methyl]-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82944029
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55089292
4-[(4-bromothiophen-2-yl)methylamino]-2-methylbut-2-enoic acid
CID 103254800
5-bromo-N-[(4-bromothiophen-2-yl)methyl]pentan-1-amine
CID 107320315

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide (CID 60926272) is 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1cc(Br)cs1.
What is the InChIKey of 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is VJQOISQXQAHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-13(2)10(14)3-4-12-6-9-5-8(11)7-15-9/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide?
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 291.21 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60926272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).