N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide

C11H15NO2S — CID 79031593

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
SMILESC[C@H](CO)NC(=O)CSc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(7-13)12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyGGPLHZFNXTUZOU-SECBINFHSA-N
MW225.31 g/mol
LogP1.28
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide

N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide (PubChem CID 79031593) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
PubChem CID79031593
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
SMILESC[C@H](CO)NC(=O)CSc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(7-13)12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyGGPLHZFNXTUZOU-SECBINFHSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
CID 78991804
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 132650617
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
3,3-dimethyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43467436
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240777

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide (CID 79031593) is N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide is C[C@H](CO)NC(=O)CSc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is GGPLHZFNXTUZOU-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(7-13)12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 79031593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).