2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride

C11H18BrClN2OS — CID 119270973

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)N(C)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-7(2)10(13)11(15)14(3)6-8-4-5-9(12)16-8;/h4-5,7,10H,6,13H2,1-3H3;1H
InChIKeyBVHDFXLEIXVKHB-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride

2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride (PubChem CID 119270973) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
PubChem CID119270973
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)N(C)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-7(2)10(13)11(15)14(3)6-8-4-5-9(12)16-8;/h4-5,7,10H,6,13H2,1-3H3;1H
InChIKeyBVHDFXLEIXVKHB-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylbutanamide;hydrochloride
CID 119688978
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 30396608
3-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 115154691
1-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119688940
2-benzylsulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 55773778
2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 77144571
N-[1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792232

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride (CID 119270973) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride is CC(C)C(N)C(=O)N(C)Cc1ccc(Br)s1.Cl.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride?
The InChIKey is BVHDFXLEIXVKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-7(2)10(13)11(15)14(3)6-8-4-5-9(12)16-8;/h4-5,7,10H,6,13H2,1-3H3;1H.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119270973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).