N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide

C11H15NO2S — CID 103944553

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-15-8-11(14)12-10(7-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyPDCJFEYENXAALO-JTQLQIEISA-N
MW225.31 g/mol
LogP1.20
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide (PubChem CID 103944553) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
PubChem CID103944553
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-15-8-11(14)12-10(7-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyPDCJFEYENXAALO-JTQLQIEISA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
2-(cyanomethylsulfanyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63182591
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide (CID 103944553) is N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide is CSCC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide?
The InChIKey is PDCJFEYENXAALO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15-8-11(14)12-10(7-13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 103944553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).