(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide

C13H19NO2S — CID 95769505

IUPAC(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)NC[C@](C)(O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-10(17-3)12(15)14-9-13(2,16)11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)/t10-,13+/m1/s1
InChIKeyOAUWSWKSFMJUQP-MFKMUULPSA-N
MW253.37 g/mol
LogP1.76
Rot. Bonds5

About (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide

(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide (PubChem CID 95769505) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
PubChem CID95769505
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)NC[C@](C)(O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-10(17-3)12(15)14-9-13(2,16)11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)/t10-,13+/m1/s1
InChIKeyOAUWSWKSFMJUQP-MFKMUULPSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
CID 71994113
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95368026
N-(2-hydroxy-2-phenylpropyl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 111477609

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide (CID 95769505) is (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)NC[C@](C)(O)c1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide?
The InChIKey is OAUWSWKSFMJUQP-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(17-3)12(15)14-9-13(2,16)11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)/t10-,13+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide?
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 95769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).