N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

C11H18BrClN2OS — CID 119742246

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1csc(Br)c1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-8(5-13-2)11(15)14(3)6-9-4-10(12)16-7-9;/h4,7-8,13H,5-6H2,1-3H3;1H
InChIKeyNAOJGCHUECHTAL-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.75
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride

N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119742246) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119742246
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1csc(Br)c1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-8(5-13-2)11(15)14(3)6-9-4-10(12)16-7-9;/h4,7-8,13H,5-6H2,1-3H3;1H
InChIKeyNAOJGCHUECHTAL-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62839107
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
N-[(5-bromothiophen-3-yl)methyl]-2-ethyl-N-methylhexanamide
CID 54983912
N-[(5-bromothiophen-3-yl)methyl]-N-methylbutanamide
CID 61394592
(2R)-4-amino-2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826989
2-[[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65221363
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76909957
ethyl N-[(5-bromothiophen-3-yl)methyl]-N-methylcarbamate
CID 61395355
N-[(5-bromothiophen-3-yl)methyl]-N-methylazepane-1-carboxamide
CID 79152022

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride (CID 119742246) is N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)N(C)Cc1csc(Br)c1.Cl.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is NAOJGCHUECHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-8(5-13-2)11(15)14(3)6-9-4-10(12)16-7-9;/h4,7-8,13H,5-6H2,1-3H3;1H.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride?
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119742246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).