4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide

C11H17BrN2OS — CID 115156744

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(13)3-6-11(15)14(2)7-9-4-5-10(12)16-9/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyGFEBOMZORCRNAA-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.60
Rot. Bonds5

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide (PubChem CID 115156744) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
PubChem CID115156744
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
SMILESCC(N)CCC(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(13)3-6-11(15)14(2)7-9-4-5-10(12)16-9/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyGFEBOMZORCRNAA-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
1-N-[(5-bromothiophen-2-yl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203922
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
3-(2-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide;hydrochloride
CID 120608213
3-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 119773776
N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 30396608
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 56516070

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide (CID 115156744) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide is CC(N)CCC(=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide?
The InChIKey is GFEBOMZORCRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8(13)3-6-11(15)14(2)7-9-4-5-10(12)16-9/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide has a molecular weight of 305.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide is sourced from PubChem (CID 115156744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).