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

C16H21FN2O3S — CID 652733

IUPACN-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H21FN2O3S/c1-11(20)18-13-9-14-5-3-6-15(10-13)19(14)23(21,22)16-7-2-4-12(17)8-16/h2,4,7-8,13-15H,3,5-6,9-10H2,1H3,(H,18,20)
InChIKeyTZMPYRLBVZANFB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.04
Rot. Bonds3

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

N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (PubChem CID 652733) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
PubChem CID652733
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H21FN2O3S/c1-11(20)18-13-9-14-5-3-6-15(10-13)19(14)23(21,22)16-7-2-4-12(17)8-16/h2,4,7-8,13-15H,3,5-6,9-10H2,1H3,(H,18,20)
InChIKeyTZMPYRLBVZANFB-UHFFFAOYSA-N
XLogP2.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The IUPAC name of N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide (CID 652733) is N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The canonical SMILES for N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The InChIKey is TZMPYRLBVZANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-11(20)18-13-9-14-5-3-6-15(10-13)19(14)23(21,22)16-7-2-4-12(17)8-16/h2,4,7-8,13-15H,3,5-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide?
N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3-fluorophenyl)sulfonyl-9-azabicyclo[3.3.1]nonan-3-yl]acetamide is sourced from PubChem (CID 652733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).