(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide

C13H20N2O4S — CID 103950240

IUPAC(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C13H20N2O4S/c1-3-4-5-10(14)13(17)15-11-8-9(20(2,18)19)6-7-12(11)16/h6-8,10,16H,3-5,14H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyJEPLNVSXXFQEAN-JTQLQIEISA-N
MW300.38 g/mol
LogP1.25
Rot. Bonds6

About (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide

(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide (PubChem CID 103950240) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
PubChem CID103950240
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O
InChIInChI=1S/C13H20N2O4S/c1-3-4-5-10(14)13(17)15-11-8-9(20(2,18)19)6-7-12(11)16/h6-8,10,16H,3-5,14H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyJEPLNVSXXFQEAN-JTQLQIEISA-N
XLogP1.25
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
CID 81422440
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-4-methylsulfanylbutanamide
CID 104908842
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
CID 81434078
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide (CID 103950240) is (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide?
The InChIKey is JEPLNVSXXFQEAN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-4-5-10(14)13(17)15-11-8-9(20(2,18)19)6-7-12(11)16/h6-8,10,16H,3-5,14H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide?
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide has a molecular weight of 300.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide is sourced from PubChem (CID 103950240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).