2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide

C11H16N2O2S — CID 115179752

IUPAC2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(N(C)C(=O)C(N)CO)cc1
InChIInChI=1S/C11H16N2O2S/c1-13(11(15)10(12)7-14)8-3-5-9(16-2)6-4-8/h3-6,10,14H,7,12H2,1-2H3
InChIKeyGOMUWOMOEUVPIW-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide

2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 115179752) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
PubChem CID115179752
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(N(C)C(=O)C(N)CO)cc1
InChIInChI=1S/C11H16N2O2S/c1-13(11(15)10(12)7-14)8-3-5-9(16-2)6-4-8/h3-6,10,14H,7,12H2,1-2H3
InChIKeyGOMUWOMOEUVPIW-UHFFFAOYSA-N
XLogP0.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119320848
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
4-(N-methyl-4-methylsulfanylanilino)-4-oxobutanoic acid
CID 54320412
ethyl 3-(N-methyl-4-methylsulfanylanilino)-3-oxopropanoate
CID 115138514
2-amino-N,N-dimethyl-2-(4-methylsulfanylphenyl)acetamide
CID 116850141

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide (CID 115179752) is 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(N(C)C(=O)C(N)CO)cc1.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is GOMUWOMOEUVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13(11(15)10(12)7-14)8-3-5-9(16-2)6-4-8/h3-6,10,14H,7,12H2,1-2H3.
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide?
2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 240.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 115179752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).