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

C13H21N3O3S — CID 102955794

IUPAC4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N2CCCC(OC)C2)c1
InChIInChI=1S/C13H21N3O3S/c1-15-20(17,18)11-5-6-12(14)13(8-11)16-7-3-4-10(9-16)19-2/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3
InChIKeyKGEYHXSYSYHJMR-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.79
Rot. Bonds4

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

4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 102955794) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID102955794
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(N2CCCC(OC)C2)c1
InChIInChI=1S/C13H21N3O3S/c1-15-20(17,18)11-5-6-12(14)13(8-11)16-7-3-4-10(9-16)19-2/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3
InChIKeyKGEYHXSYSYHJMR-UHFFFAOYSA-N
XLogP0.79
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide (CID 102955794) is 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(N2CCCC(OC)C2)c1.
What is the InChIKey of 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is KGEYHXSYSYHJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15-20(17,18)11-5-6-12(14)13(8-11)16-7-3-4-10(9-16)19-2/h5-6,8,10,15H,3-4,7,9,14H2,1-2H3.
What are the key properties of 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide?
4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102955794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).