(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide

C11H16N2OS — CID 104897926

IUPAC(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
SMILESCSCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C11H16N2OS/c1-15-8-7-13-11(14)10(12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyWZHRIVBSJAXIDQ-JTQLQIEISA-N
MW224.33 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide

(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide (PubChem CID 104897926) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
PubChem CID104897926
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
SMILESCSCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C11H16N2OS/c1-15-8-7-13-11(14)10(12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyWZHRIVBSJAXIDQ-JTQLQIEISA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide (CID 104897926) is (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide is CSCCNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide?
The InChIKey is WZHRIVBSJAXIDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2OS/c1-15-8-7-13-11(14)10(12)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide?
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide is sourced from PubChem (CID 104897926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).