3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide

C11H17BrN2OS — CID 115709425

IUPAC3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCc1csc(Br)c1
InChIInChI=1S/C11H17BrN2OS/c1-8(4-11(15)14(2)3)13-6-9-5-10(12)16-7-9/h5,7-8,13H,4,6H2,1-3H3
InChIKeyFQOBNKRCJAUWKF-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.47
Rot. Bonds5

About 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide

3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide (PubChem CID 115709425) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
PubChem CID115709425
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCc1csc(Br)c1
InChIInChI=1S/C11H17BrN2OS/c1-8(4-11(15)14(2)3)13-6-9-5-10(12)16-7-9/h5,7-8,13H,4,6H2,1-3H3
InChIKeyFQOBNKRCJAUWKF-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
CID 43675102
(3S)-3-[(3-bromo-5-fluorophenyl)methylamino]-N,N-dimethylbutanamide
CID 97230430
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
CID 103735729
methyl 2-[(5-bromothiophen-3-yl)methylamino]-4-methylpentanoate
CID 43689088
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
CID 115711461
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide (CID 115709425) is 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NCc1csc(Br)c1.
What is the InChIKey of 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide?
The InChIKey is FQOBNKRCJAUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8(4-11(15)14(2)3)13-6-9-5-10(12)16-7-9/h5,7-8,13H,4,6H2,1-3H3.
What are the key properties of 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide?
3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide has a molecular weight of 305.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 115709425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).