(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride

C10H15ClN2O4S — CID 67615409

IUPAC(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(NC(=O)[C@@H](N)CO)cc1.Cl
InChIInChI=1S/C10H14N2O4S.ClH/c1-17(15,16)8-4-2-7(3-5-8)12-10(14)9(11)6-13;/h2-5,9,13H,6,11H2,1H3,(H,12,14);1H/t9-;/m0./s1
InChIKeyALDBRMBPHQXCOX-FVGYRXGTSA-N
MW294.76 g/mol
LogP-0.23
Rot. Bonds4

About (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride

(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 67615409) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
PubChem CID67615409
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(NC(=O)[C@@H](N)CO)cc1.Cl
InChIInChI=1S/C10H14N2O4S.ClH/c1-17(15,16)8-4-2-7(3-5-8)12-10(14)9(11)6-13;/h2-5,9,13H,6,11H2,1H3,(H,12,14);1H/t9-;/m0./s1
InChIKeyALDBRMBPHQXCOX-FVGYRXGTSA-N
XLogP-0.23
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
(2R)-2-amino-N-(4-methylsulfonylphenyl)-2-phenylacetamide
CID 61148899
2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704509
(2S)-2-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 79024721
2-amino-N-(4-formylphenyl)-3-hydroxypropanamide
CID 143188346
2-methoxy-N-(4-methylsulfonylphenyl)propanamide
CID 47300837
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride (CID 67615409) is (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride is CS(=O)(=O)c1ccc(NC(=O)[C@@H](N)CO)cc1.Cl.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is ALDBRMBPHQXCOX-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14N2O4S.ClH/c1-17(15,16)8-4-2-7(3-5-8)12-10(14)9(11)6-13;/h2-5,9,13H,6,11H2,1H3,(H,12,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride?
(2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 294.76 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-(4-methylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 67615409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).