9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane

C12H17N3O2S — CID 120719570

IUPAC9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1cccnc1)N1C2CCNCC1CC2
InChIInChI=1S/C12H17N3O2S/c16-18(17,12-2-1-6-13-9-12)15-10-3-4-11(15)8-14-7-5-10/h1-2,6,9-11,14H,3-5,7-8H2
InChIKeyBTDYZRSPXXOTII-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.60
Rot. Bonds2

About 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane

9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 120719570) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID120719570
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1cccnc1)N1C2CCNCC1CC2
InChIInChI=1S/C12H17N3O2S/c16-18(17,12-2-1-6-13-9-12)15-10-3-4-11(15)8-14-7-5-10/h1-2,6,9-11,14H,3-5,7-8H2
InChIKeyBTDYZRSPXXOTII-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-fluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719189
9-(4-methylsulfonylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719614
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
9-(4-phenylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719324
9-(3,4-dimethylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719391
9-(3-propan-2-ylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719778
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
1-(1-pyridin-3-ylsulfonylazetidin-3-yl)piperazine
CID 66195772
9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719704
9-(3,5-dichloro-4-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719225
7-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 120719053
9-(4-propan-2-yloxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719820

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane (CID 120719570) is 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane is O=S(=O)(c1cccnc1)N1C2CCNCC1CC2.
What is the InChIKey of 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is BTDYZRSPXXOTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-18(17,12-2-1-6-13-9-12)15-10-3-4-11(15)8-14-7-5-10/h1-2,6,9-11,14H,3-5,7-8H2.
What are the key properties of 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 267.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 120719570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).