2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride

C12H19ClN2OS — CID 119674747

IUPAC2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1SC.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(8-13-2)12(15)14-10-6-4-5-7-11(10)16-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyUKBRGILIBGSBDF-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.62
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride

2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride (PubChem CID 119674747) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
PubChem CID119674747
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1SC.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(8-13-2)12(15)14-10-6-4-5-7-11(10)16-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyUKBRGILIBGSBDF-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
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N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
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N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
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N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
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2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
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1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
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3-[methyl-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911993
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CID 119844180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride (CID 119674747) is 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccccc1SC.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride?
The InChIKey is UKBRGILIBGSBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-9(8-13-2)12(15)14-10-6-4-5-7-11(10)16-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119674747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).