(2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide

C11H16N2O4S — CID 154156454

IUPAC(2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)[C@@](N)(C(N)=O)[C@@H](C)O)cc1
InChIInChI=1S/C11H16N2O4S/c1-7-3-5-9(6-4-7)18(16,17)11(13,8(2)14)10(12)15/h3-6,8,14H,13H2,1-2H3,(H2,12,15)/t8-,11-/m1/s1
InChIKeyILGCEDLZJJXYDH-LDYMZIIASA-N
MW272.33 g/mol
LogP-0.71
Rot. Bonds4

About (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide

(2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide (PubChem CID 154156454) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide
PubChem CID154156454
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)[C@@](N)(C(N)=O)[C@@H](C)O)cc1
InChIInChI=1S/C11H16N2O4S/c1-7-3-5-9(6-4-7)18(16,17)11(13,8(2)14)10(12)15/h3-6,8,14H,13H2,1-2H3,(H2,12,15)/t8-,11-/m1/s1
InChIKeyILGCEDLZJJXYDH-LDYMZIIASA-N
XLogP-0.71
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-hydroxy-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 154126143
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]butanamide
CID 11515202
N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 11687862
(2S,3R)-N,3-dihydroxy-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 16128623
(2S,3R)-N,3-dihydroxy-2-[(4-propylphenyl)sulfonylamino]butanamide
CID 16128707
3-Hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 67647085
3-Hydroxy-2-[hydroxy-(4-methylphenyl)sulfonylamino]butanamide
CID 87748051
3-Hydroxy-2-[hydroxy-(4-propylphenyl)sulfonylamino]butanamide
CID 87749588
(2R)-2-amino-N,3-dihydroxy-2-(4-phenylphenyl)sulfonylpropanamide
CID 143175692
(2R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylpropanamide
CID 143175700
(2R,3R)-2-amino-N,3-dihydroxy-2-[4-(2-methylbutan-2-yl)phenyl]sulfonylbutanamide
CID 150087759

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide (CID 154156454) is (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)[C@@](N)(C(N)=O)[C@@H](C)O)cc1.
What is the InChIKey of (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is ILGCEDLZJJXYDH-LDYMZIIASA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-3-5-9(6-4-7)18(16,17)11(13,8(2)14)10(12)15/h3-6,8,14H,13H2,1-2H3,(H2,12,15)/t8-,11-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide?
(2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 272.33 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-hydroxy-2-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 154156454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).