N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide

C16H22N2O3S — CID 656292

IUPACN-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-12(19)17-13-10-14-6-5-7-15(11-13)18(14)22(20,21)16-8-3-2-4-9-16/h2-4,8-9,13-15H,5-7,10-11H2,1H3,(H,17,19)
InChIKeyGQXHEZKPLVOAJK-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.90
Rot. Bonds3

About N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide

N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (PubChem CID 656292) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
PubChem CID656292
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3S/c1-12(19)17-13-10-14-6-5-7-15(11-13)18(14)22(20,21)16-8-3-2-4-9-16/h2-4,8-9,13-15H,5-7,10-11H2,1H3,(H,17,19)
InChIKeyGQXHEZKPLVOAJK-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
N-[9-(3-Fluoro-benzenesulfonyl)-9-aza-bicyclo[3.3.1]non-3-yl]-acetamide
CID 652733
N~1~-cycloheptyl-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2232318
1-Benzenesulfonyl-piperidine-4-carboxylic acid (1-methyl-butyl)-amide
CID 3156759
N1-cyclopentyl-N2-(2-(1-(phenylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574263
N~1~-cycloheptyl-N~2~-methyl-N~2~-(phenylsulfonyl)glycinamide
CID 892265
N-[2-(1-cyclohexen-1-yl)ethyl]-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 2127400
Cyclohexanecarboxylic acid (9-benzenesulfonyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
CID 3218371
N1-cyclopropyl-N2-(2-(1-(phenylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574300
1-(benzenesulfonyl)-N-butylpiperidine-2-carboxamide
CID 42897553
N-(1-acetylpiperidin-4-yl)-4-fluorobenzenesulfonamide
CID 9926350

Frequently Asked Questions

What is the IUPAC name of N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The IUPAC name of N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (CID 656292) is N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The canonical SMILES for N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The InChIKey is GQXHEZKPLVOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12(19)17-13-10-14-6-5-7-15(11-13)18(14)22(20,21)16-8-3-2-4-9-16/h2-4,8-9,13-15H,5-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(benzenesulfonyl)-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is sourced from PubChem (CID 656292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).