5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide

C13H21N3O2S — CID 28795698

IUPAC5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C13H21N3O2S/c1-15(2)19(17,18)13-10-11(14)6-7-12(13)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKeyOYRYGDCEDJMIOP-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.51
Rot. Bonds3

About 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide

5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide (PubChem CID 28795698) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
PubChem CID28795698
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C13H21N3O2S/c1-15(2)19(17,18)13-10-11(14)6-7-12(13)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKeyOYRYGDCEDJMIOP-UHFFFAOYSA-N
XLogP1.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
2,5-diamino-4-[1-(4-amino-2-sulfamoylphenyl)piperidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 134186085
5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 28795713
5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide
CID 121356164
N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 94849742
N,N-dimethyl-5-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-piperidin-1-ylbenzenesulfonamide
CID 94849818
4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 69123591
4-amino-2-(dimethylsulfamoyl)benzamide
CID 162727252
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-amino-N-methyl-2-piperazin-1-ylbenzenesulfonamide
CID 103286986
9-(azepan-1-yl)-N,N-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 53097013

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide (CID 28795698) is 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(N)ccc1N1CCCCC1.
What is the InChIKey of 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide?
The InChIKey is OYRYGDCEDJMIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15(2)19(17,18)13-10-11(14)6-7-12(13)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,14H2,1-2H3.
What are the key properties of 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide?
5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 28795698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).