5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide

C13H21N3O3S — CID 103287216

IUPAC5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H21N3O3S/c1-13(17)5-7-16(8-6-13)11-4-3-10(14)9-12(11)20(18,19)15-2/h3-4,9,15,17H,5-8,14H2,1-2H3
InChIKeyLDLMIEHVZMADFS-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.53
Rot. Bonds3

About 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide

5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 103287216) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID103287216
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N1CCC(C)(O)CC1
InChIInChI=1S/C13H21N3O3S/c1-13(17)5-7-16(8-6-13)11-4-3-10(14)9-12(11)20(18,19)15-2/h3-4,9,15,17H,5-8,14H2,1-2H3
InChIKeyLDLMIEHVZMADFS-UHFFFAOYSA-N
XLogP0.53
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 103286986
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188
5-amino-2-(2,2-dimethylmorpholin-4-yl)-N-methylbenzenesulfonamide
CID 103286780
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
5-amino-N-methyl-2-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 103287123
5-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 103287518
2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 103355271
4-methyl-1-(2-methylsulfonylphenyl)piperidin-4-ol
CID 80702471
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
1-(4-amino-2-iodophenyl)-4-methylazepan-4-ol
CID 107403607
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
2-amino-3-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 112675007

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide (CID 103287216) is 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N1CCC(C)(O)CC1.
What is the InChIKey of 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is LDLMIEHVZMADFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(17)5-7-16(8-6-13)11-4-3-10(14)9-12(11)20(18,19)15-2/h3-4,9,15,17H,5-8,14H2,1-2H3.
What are the key properties of 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide?
5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).