(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide

C15H20FN3O3S — CID 70764353

IUPAC(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
SMILESCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C15H20FN3O3S/c1-23(21,22)18-8-11-5-6-14(10-18)19(9-11)15(20)17-13-4-2-3-12(16)7-13/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyGLPMPHGUXDVZIW-SMDDNHRTSA-N
MW341.41 g/mol
LogP1.71
Rot. Bonds2

About (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide

(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide (PubChem CID 70764353) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
PubChem CID70764353
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
SMILESCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C15H20FN3O3S/c1-23(21,22)18-8-11-5-6-14(10-18)19(9-11)15(20)17-13-4-2-3-12(16)7-13/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1
InChIKeyGLPMPHGUXDVZIW-SMDDNHRTSA-N
XLogP1.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 70783596
N-(3-fluorophenyl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 127769677
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
(2-chloro-4,5-difluorophenyl)-[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133132228
(1R,5S)-6-N-(3,4-difluorophenyl)-3-N,3-N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3,6-dicarboxamide
CID 133114524
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
(3S,6S)-1-N-(3-fluorophenyl)-6-methylpiperidine-1,3-dicarboxamide
CID 97221670
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-[3-(butanoylamino)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156607608
1-cyclopropyl-3-(3-fluorophenyl)-1-(2-methylsulfonylethyl)urea
CID 71844408
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide?
The IUPAC name of (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide (CID 70764353) is (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide.
What is the SMILES notation for (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide?
The canonical SMILES for (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide is CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(F)c1)C2.
What is the InChIKey of (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide?
The InChIKey is GLPMPHGUXDVZIW-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-23(21,22)18-8-11-5-6-14(10-18)19(9-11)15(20)17-13-4-2-3-12(16)7-13/h2-4,7,11,14H,5-6,8-10H2,1H3,(H,17,20)/t11-,14+/m0/s1.
What are the key properties of (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide?
(1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-(3-fluorophenyl)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide is sourced from PubChem (CID 70764353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).