N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide

C12H22N2O3S — CID 106338262

IUPACN-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)13-6-3-7-14-10-4-2-5-11(14)9-12(15)8-10/h10-11,13H,2-9H2,1H3
InChIKeyHVNQQAXDVRJRQM-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.51
Rot. Bonds5

About N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide

N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide (PubChem CID 106338262) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide
PubChem CID106338262
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1C2CCCC1CC(=O)C2
InChIInChI=1S/C12H22N2O3S/c1-18(16,17)13-6-3-7-14-10-4-2-5-11(14)9-12(15)8-10/h10-11,13H,2-9H2,1H3
InChIKeyHVNQQAXDVRJRQM-UHFFFAOYSA-N
XLogP0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide (CID 106338262) is N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1C2CCCC1CC(=O)C2.
What is the InChIKey of N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide?
The InChIKey is HVNQQAXDVRJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-18(16,17)13-6-3-7-14-10-4-2-5-11(14)9-12(15)8-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide?
N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-oxo-9-azabicyclo[3.3.1]nonan-9-yl)propyl]methanesulfonamide is sourced from PubChem (CID 106338262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).