4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide

C12H19N3O3S — CID 82899314

IUPAC4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N2CCC(O)CC2)c1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)10-2-3-11(13)12(8-10)15-6-4-9(16)5-7-15/h2-3,8-9,14,16H,4-7,13H2,1H3
InChIKeyMQIPSSACHXVRLY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.14
Rot. Bonds3

About 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide

4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 82899314) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID82899314
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N2CCC(O)CC2)c1
InChIInChI=1S/C12H19N3O3S/c1-14-19(17,18)10-2-3-11(13)12(8-10)15-6-4-9(16)5-7-15/h2-3,8-9,14,16H,4-7,13H2,1H3
InChIKeyMQIPSSACHXVRLY-UHFFFAOYSA-N
XLogP0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide (CID 82899314) is 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(N2CCC(O)CC2)c1.
What is the InChIKey of 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is MQIPSSACHXVRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-14-19(17,18)10-2-3-11(13)12(8-10)15-6-4-9(16)5-7-15/h2-3,8-9,14,16H,4-7,13H2,1H3.
What are the key properties of 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide?
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 82899314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).