8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

C16H24N2O3S — CID 121186710

IUPAC8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCCCCS(=O)(=O)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C16H24N2O3S/c1-2-3-10-22(19,20)18-13-4-5-14(18)12-16(11-13)21-15-6-8-17-9-7-15/h6-9,13-14,16H,2-5,10-12H2,1H3
InChIKeyBHVYZNYGLASTPR-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.59
Rot. Bonds6

About 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121186710) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121186710
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCCCCS(=O)(=O)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C16H24N2O3S/c1-2-3-10-22(19,20)18-13-4-5-14(18)12-16(11-13)21-15-6-8-17-9-7-15/h6-9,13-14,16H,2-5,10-12H2,1H3
InChIKeyBHVYZNYGLASTPR-UHFFFAOYSA-N
XLogP2.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-3-pyridin-4-yloxy-8-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]-8-azabicyclo[3.2.1]octane
CID 66755339
(1R,5S)-8-[3-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 59367745
(1R,5R)-3-pyridin-4-yloxy-8-[3-[(2S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]propylsulfonyl]-8-azabicyclo[3.2.1]octane
CID 46206286
8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186718
8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763350
8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186748
8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186812
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745
4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine
CID 121162229
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
CID 66755086
(1S,5R)-8-[1-[3-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]azetidin-3-yl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 68602953

Frequently Asked Questions

What is the IUPAC name of 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (CID 121186710) is 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is CCCCS(=O)(=O)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is BHVYZNYGLASTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-3-10-22(19,20)18-13-4-5-14(18)12-16(11-13)21-15-6-8-17-9-7-15/h6-9,13-14,16H,2-5,10-12H2,1H3.
What are the key properties of 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 324.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121186710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).