(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride

C11H17ClN2OS — CID 119320848

IUPAC(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
SMILESCSc1ccc(N(C)C(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-8(12)11(14)13(2)9-4-6-10(15-3)7-5-9;/h4-8H,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyVTIZGNPSAWGGKM-DDWIOCJRSA-N
MW260.79 g/mol
LogP2.14
Rot. Bonds3

About (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride

(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride (PubChem CID 119320848) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
PubChem CID119320848
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
SMILESCSc1ccc(N(C)C(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C11H16N2OS.ClH/c1-8(12)11(14)13(2)9-4-6-10(15-3)7-5-9;/h4-8H,12H2,1-3H3;1H/t8-;/m1./s1
InChIKeyVTIZGNPSAWGGKM-DDWIOCJRSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 115179752
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288
(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
CID 91082620
2-amino-N,N-dimethyl-2-(4-methylsulfanylphenyl)acetamide
CID 116850141
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
(2S)-2-amino-N-methyl-N-(3-propan-2-ylphenyl)propanamide;hydrochloride
CID 119305750
ethyl 3-(N-methyl-4-methylsulfanylanilino)-3-oxopropanoate
CID 115138514
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride (CID 119320848) is (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride is CSc1ccc(N(C)C(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
The InChIKey is VTIZGNPSAWGGKM-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-8(12)11(14)13(2)9-4-6-10(15-3)7-5-9;/h4-8H,12H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride?
(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119320848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).