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

C11H15NO3S — CID 11064553

IUPAC(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide
SMILESCc1ccc([S@](=O)[C@H](C)[C@@H](O)C(N)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-7-3-5-9(6-4-7)16(15)8(2)10(13)11(12)14/h3-6,8,10,13H,1-2H3,(H2,12,14)/t8-,10-,16-/m1/s1
InChIKeyMQDMHLKQQBCCGZ-DOZZXWOPSA-N
MW241.31 g/mol
LogP0.34
Rot. Bonds4

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

(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide (PubChem CID 11064553) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide
PubChem CID11064553
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide
SMILESCc1ccc([S@](=O)[C@H](C)[C@@H](O)C(N)=O)cc1
InChIInChI=1S/C11H15NO3S/c1-7-3-5-9(6-4-7)16(15)8(2)10(13)11(12)14/h3-6,8,10,13H,1-2H3,(H2,12,14)/t8-,10-,16-/m1/s1
InChIKeyMQDMHLKQQBCCGZ-DOZZXWOPSA-N
XLogP0.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide
CID 3115917
3-(4-Methylbenzenesulfonyl)propanamide
CID 676777
4-(4-Butylphenyl)sulfanyl-3-hydroxy-4-methylpentanamide
CID 11842911
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
(2R)-2-hydroxy-4-[3-(trifluoromethyl)phenyl]sulfinylbutanamide
CID 143214872
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
CID 143421569
4-(4-Methylphenyl)sulfonylbutanamide
CID 12559248
2-(4-Methylphenyl)sulfonylbutanamide
CID 17844728
N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 18712765
2-(4-Methylphenyl)sulfonylpropanamide
CID 45704539
3-(4-Methylphenyl)sulfonylbutanamide
CID 57140221
(2S)-N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 59880603

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide?
The IUPAC name of (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide (CID 11064553) is (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide.
What is the SMILES notation for (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide?
The canonical SMILES for (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide is Cc1ccc([S@](=O)[C@H](C)[C@@H](O)C(N)=O)cc1.
What is the InChIKey of (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide?
The InChIKey is MQDMHLKQQBCCGZ-DOZZXWOPSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-3-5-9(6-4-7)16(15)8(2)10(13)11(12)14/h3-6,8,10,13H,1-2H3,(H2,12,14)/t8-,10-,16-/m1/s1.
What are the key properties of (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide?
(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide has a molecular weight of 241.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide is sourced from PubChem (CID 11064553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).