2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide

C13H21BrN2OS — CID 43675102

IUPAC2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NCc1csc(Br)c1)C(=O)N(C)C
InChIInChI=1S/C13H21BrN2OS/c1-9(2)5-11(13(17)16(3)4)15-7-10-6-12(14)18-8-10/h6,8-9,11,15H,5,7H2,1-4H3
InChIKeyNIENPBJPIDDATM-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.10
Rot. Bonds6

About 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide

2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide (PubChem CID 43675102) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
PubChem CID43675102
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NCc1csc(Br)c1)C(=O)N(C)C
InChIInChI=1S/C13H21BrN2OS/c1-9(2)5-11(13(17)16(3)4)15-7-10-6-12(14)18-8-10/h6,8-9,11,15H,5,7H2,1-4H3
InChIKeyNIENPBJPIDDATM-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-bromothiophen-3-yl)methylamino]-4-methylpentanoate
CID 43689088
3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
CID 115709425
2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 66473597
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
CID 103735729
4-[[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]methyl]benzoic acid
CID 65348249
2-[(2-bromo-4-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 115556733
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 79969385
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119742246

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide (CID 43675102) is 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NCc1csc(Br)c1)C(=O)N(C)C.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide?
The InChIKey is NIENPBJPIDDATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-9(2)5-11(13(17)16(3)4)15-7-10-6-12(14)18-8-10/h6,8-9,11,15H,5,7H2,1-4H3.
What are the key properties of 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide?
2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide has a molecular weight of 333.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43675102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).