cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C17H23N3O3S — CID 133119861

IUPACcyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)N(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C17H23N3O3S/c21-17(14-3-1-4-14)19-10-13-6-7-15(12-19)20(11-13)24(22,23)16-5-2-8-18-9-16/h2,5,8-9,13-15H,1,3-4,6-7,10-12H2/t13-,15+/m1/s1
InChIKeyBUQIWZGGGGMWJP-HIFRSBDPSA-N
MW349.46 g/mol
LogP1.49
Rot. Bonds3

About cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 133119861) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID133119861
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Namecyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESO=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)N(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C17H23N3O3S/c21-17(14-3-1-4-14)19-10-13-6-7-15(12-19)20(11-13)24(22,23)16-5-2-8-18-9-16/h2,5,8-9,13-15H,1,3-4,6-7,10-12H2/t13-,15+/m1/s1
InChIKeyBUQIWZGGGGMWJP-HIFRSBDPSA-N
XLogP1.49
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-cyclobutylmethanone
CID 156603157
(1S,5R)-3-methylsulfonyl-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
CID 70744746
[(1S,5R)-6-benzylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-cyclobutylmethanone
CID 72903785
[(1R,5S)-6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 133126975
[(1R,5S)-6-(benzenesulfonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 133138684
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 133119861) is cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)N(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is BUQIWZGGGGMWJP-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-17(14-3-1-4-14)19-10-13-6-7-15(12-19)20(11-13)24(22,23)16-5-2-8-18-9-16/h2,5,8-9,13-15H,1,3-4,6-7,10-12H2/t13-,15+/m1/s1.
What are the key properties of cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(1R,5S)-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 133119861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).