3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide

C11H17N3O4S — CID 106165069

IUPAC3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C11H17N3O4S/c1-6-3-8(12)4-7(2)10(6)19(17,18)14-5-9(15)11(13)16/h3-4,9,14-15H,5,12H2,1-2H3,(H2,13,16)
InChIKeyWOPIUPHKKLDUHX-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.99
Rot. Bonds5

About 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide

3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide (PubChem CID 106165069) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
PubChem CID106165069
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C11H17N3O4S/c1-6-3-8(12)4-7(2)10(6)19(17,18)14-5-9(15)11(13)16/h3-4,9,14-15H,5,12H2,1-2H3,(H2,13,16)
InChIKeyWOPIUPHKKLDUHX-UHFFFAOYSA-N
XLogP-0.99
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
4-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2,6-dimethylbenzenesulfonamide
CID 107150700
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 106168362
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 106168272
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
N-(2-amino-3-hydroxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 64540008

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide (CID 106165069) is 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide is Cc1cc(N)cc(C)c1S(=O)(=O)NCC(O)C(N)=O.
What is the InChIKey of 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
The InChIKey is WOPIUPHKKLDUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-6-3-8(12)4-7(2)10(6)19(17,18)14-5-9(15)11(13)16/h3-4,9,14-15H,5,12H2,1-2H3,(H2,13,16).
What are the key properties of 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide has a molecular weight of 287.34 g/mol, XLogP of -0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106165069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).