(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide

C11H15NO2S — CID 131851094

IUPAC(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
SMILESCc1ccc(SC(C)[C@H](O)C(N)=O)cc1
InChIInChI=1S/C11H15NO2S/c1-7-3-5-9(6-4-7)15-8(2)10(13)11(12)14/h3-6,8,10,13H,1-2H3,(H2,12,14)/t8?,10-/m0/s1
InChIKeyAWOBEAKFYXWKKG-HTLJXXAVSA-N
MW225.31 g/mol
LogP1.32
Rot. Bonds4

About (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide

(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide (PubChem CID 131851094) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
PubChem CID131851094
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
SMILESCc1ccc(SC(C)[C@H](O)C(N)=O)cc1
InChIInChI=1S/C11H15NO2S/c1-7-3-5-9(6-4-7)15-8(2)10(13)11(12)14/h3-6,8,10,13H,1-2H3,(H2,12,14)/t8?,10-/m0/s1
InChIKeyAWOBEAKFYXWKKG-HTLJXXAVSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
CID 10024575
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
3-methyl-2-(4-methylphenyl)sulfanylpentanoic acid
CID 79444522
N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
CID 64620449
3-amino-2-(4-methylphenyl)sulfanylpropanoic acid
CID 64695641
4-hydroxy-6-(4-methylphenyl)sulfanylheptan-2-one
CID 14692816
1-(4-methylphenyl)sulfanylethane-1,2-diol
CID 71411750
2-(4-methylphenyl)sulfanylpropanal
CID 10081010
2,2-difluoro-1-(4-methylphenyl)sulfanylethanol
CID 175591763
(2S)-2-(4-methylphenyl)sulfanylpropanal
CID 10352285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide?
The IUPAC name of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide (CID 131851094) is (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide.
What is the SMILES notation for (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide?
The canonical SMILES for (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide is Cc1ccc(SC(C)[C@H](O)C(N)=O)cc1.
What is the InChIKey of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide?
The InChIKey is AWOBEAKFYXWKKG-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-3-5-9(6-4-7)15-8(2)10(13)11(12)14/h3-6,8,10,13H,1-2H3,(H2,12,14)/t8?,10-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide?
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide has a molecular weight of 225.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide is sourced from PubChem (CID 131851094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).