3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide

C15H23N3O2S — CID 65472151

IUPAC3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)c1cccc(N)c1)C2
InChIInChI=1S/C15H23N3O2S/c1-18-13-5-3-6-14(18)10-12(9-13)17-21(19,20)15-7-2-4-11(16)8-15/h2,4,7-8,12-14,17H,3,5-6,9-10,16H2,1H3
InChIKeySQSUTPVETHFGHU-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide

3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide (PubChem CID 65472151) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
PubChem CID65472151
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)c1cccc(N)c1)C2
InChIInChI=1S/C15H23N3O2S/c1-18-13-5-3-6-14(18)10-12(9-13)17-21(19,20)15-7-2-4-11(16)8-15/h2,4,7-8,12-14,17H,3,5-6,9-10,16H2,1H3
InChIKeySQSUTPVETHFGHU-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide 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 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide (CID 65472151) is 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide is CN1C2CCCC1CC(NS(=O)(=O)c1cccc(N)c1)C2.
What is the InChIKey of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide?
The InChIKey is SQSUTPVETHFGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-13-5-3-6-14(18)10-12(9-13)17-21(19,20)15-7-2-4-11(16)8-15/h2,4,7-8,12-14,17H,3,5-6,9-10,16H2,1H3.
What are the key properties of 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide?
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide is sourced from PubChem (CID 65472151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).