(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide

C10H13NO3S — CID 10966231

IUPAC(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide
SMILESCc1ccc([S@](=O)C[C@@H](O)C(N)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-7-2-4-8(5-3-7)15(14)6-9(12)10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-,15-/m1/s1
InChIKeyGONSLKNXQLLZGW-RFAUZJTJSA-N
MW227.29 g/mol
LogP-0.05
Rot. Bonds4

About (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide

(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide (PubChem CID 10966231) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide
PubChem CID10966231
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Name(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide
SMILESCc1ccc([S@](=O)C[C@@H](O)C(N)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-7-2-4-8(5-3-7)15(14)6-9(12)10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-,15-/m1/s1
InChIKeyGONSLKNXQLLZGW-RFAUZJTJSA-N
XLogP-0.05
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide 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

2-((4-Methylphenyl)sulfonyl)acetamide
CID 104164
N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide
CID 3115917
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 11030797
3-(4-Methylbenzenesulfonyl)propanamide
CID 676777
[(2S)-1-amino-1-oxopropan-2-yl] 4-methylbenzenesulfonate
CID 101686552
(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
CID 143214872
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
CID 143421569
(2S)-1-(4-methylphenyl)sulfinylpropan-2-ol
CID 101949263
[(2R)-1-amino-1-oxopropan-2-yl] 4-methylbenzenesulfonate
CID 11085985
4-(4-Methylphenyl)sulfonylbutanamide
CID 12559248
3-(4-Ethenylphenyl)sulfonylpropanamide
CID 12683176
(1-Amino-1-oxopropan-2-yl) 4-methylbenzenesulfonate
CID 14402819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide?
The IUPAC name of (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide (CID 10966231) is (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide is Cc1ccc([S@](=O)C[C@@H](O)C(N)=O)cc1.
What is the InChIKey of (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide?
The InChIKey is GONSLKNXQLLZGW-RFAUZJTJSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-2-4-8(5-3-7)15(14)6-9(12)10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-,15-/m1/s1.
What are the key properties of (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide?
(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide has a molecular weight of 227.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide is sourced from PubChem (CID 10966231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).