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

C10H13NO2S — CID 131851093

IUPAC(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC[C@H](O)C(N)=O)cc1
InChIInChI=1S/C10H13NO2S/c1-7-2-4-8(5-3-7)14-6-9(12)10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-/m0/s1
InChIKeyCIPXDSBRGNTNOW-VIFPVBQESA-N
MW211.29 g/mol
LogP0.93
Rot. Bonds4

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

(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 131851093) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID131851093
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC[C@H](O)C(N)=O)cc1
InChIInChI=1S/C10H13NO2S/c1-7-2-4-8(5-3-7)14-6-9(12)10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-/m0/s1
InChIKeyCIPXDSBRGNTNOW-VIFPVBQESA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, 2-(p-tolylthio)-
CID 51918
Acetic acid, ((4-methylphenyl)thio)-, compd. with 2-aminoethanol (1:1)
CID 60050
N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide
CID 3115917
(1-Amino-1-oxopropan-2-yl) 2-(2-methylphenyl)sulfanylacetate
CID 4964058
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
3-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341086
(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
CID 143214872
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
CID 143421569
N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 18712765
1-Amino-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 43188094
(2S)-N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 59880603
3-Hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 67647085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide (CID 131851093) is (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC[C@H](O)C(N)=O)cc1.
What is the InChIKey of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is CIPXDSBRGNTNOW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-2-4-8(5-3-7)14-6-9(12)10(11)13/h2-5,9,12H,6H2,1H3,(H2,11,13)/t9-/m0/s1.
What are the key properties of (2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide?
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 211.29 g/mol, XLogP of 0.93, 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)sulfanylpropanamide is sourced from PubChem (CID 131851093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).