2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide

C11H15N3O5S — CID 81434078

IUPAC2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C11H15N3O5S/c1-20(18,19)6-2-3-9(15)8(4-6)14-11(17)7(12)5-10(13)16/h2-4,7,15H,5,12H2,1H3,(H2,13,16)(H,14,17)
InChIKeyWBGZNYJZRQTFTC-UHFFFAOYSA-N
MW301.32 g/mol
LogP-1.06
Rot. Bonds5

About 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide

2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide (PubChem CID 81434078) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
PubChem CID81434078
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C(N)CC(N)=O)c1
InChIInChI=1S/C11H15N3O5S/c1-20(18,19)6-2-3-9(15)8(4-6)14-11(17)7(12)5-10(13)16/h2-4,7,15H,5,12H2,1H3,(H2,13,16)(H,14,17)
InChIKeyWBGZNYJZRQTFTC-UHFFFAOYSA-N
XLogP-1.06
TPSA152.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
4-amino-5-(2-hydroxy-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 81423030
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-4-methylsulfanylbutanamide
CID 104908842
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-5-methoxypentanamide
CID 81422440
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-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpropane-1-sulfonamide
CID 81434171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide?
The IUPAC name of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide (CID 81434078) is 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide is CS(=O)(=O)c1ccc(O)c(NC(=O)C(N)CC(N)=O)c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide?
The InChIKey is WBGZNYJZRQTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-20(18,19)6-2-3-9(15)8(4-6)14-11(17)7(12)5-10(13)16/h2-4,7,15H,5,12H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide?
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide has a molecular weight of 301.32 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanediamide is sourced from PubChem (CID 81434078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).