3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide

C13H23N5O2S — CID 65471585

IUPAC3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)c1cn(C)nc1N)C2
InChIInChI=1S/C13H23N5O2S/c1-17-8-12(13(14)15-17)21(19,20)16-9-6-10-4-3-5-11(7-9)18(10)2/h8-11,16H,3-7H2,1-2H3,(H2,14,15)
InChIKeyJDMNUGZCFKBBJA-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.30
Rot. Bonds3

About 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide

3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide (PubChem CID 65471585) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide
PubChem CID65471585
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide
SMILESCN1C2CCCC1CC(NS(=O)(=O)c1cn(C)nc1N)C2
InChIInChI=1S/C13H23N5O2S/c1-17-8-12(13(14)15-17)21(19,20)16-9-6-10-4-3-5-11(7-9)18(10)2/h8-11,16H,3-7H2,1-2H3,(H2,14,15)
InChIKeyJDMNUGZCFKBBJA-UHFFFAOYSA-N
XLogP0.30
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide (CID 65471585) is 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide is CN1C2CCCC1CC(NS(=O)(=O)c1cn(C)nc1N)C2.
What is the InChIKey of 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is JDMNUGZCFKBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-17-8-12(13(14)15-17)21(19,20)16-9-6-10-4-3-5-11(7-9)18(10)2/h8-11,16H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 65471585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).