8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H21NO4S — CID 63763512

IUPAC8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C1CCOCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO4S/c14-11-7-9-1-2-10(8-11)13(9)18(15,16)12-3-5-17-6-4-12/h9-12,14H,1-8H2
InChIKeyNPJZYTKZLGDKSI-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.48
Rot. Bonds2

About 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763512) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763512
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(C1CCOCC1)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H21NO4S/c14-11-7-9-1-2-10(8-11)13(9)18(15,16)12-3-5-17-6-4-12/h9-12,14H,1-8H2
InChIKeyNPJZYTKZLGDKSI-UHFFFAOYSA-N
XLogP0.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763512) is 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(C1CCOCC1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NPJZYTKZLGDKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c14-11-7-9-1-2-10(8-11)13(9)18(15,16)12-3-5-17-6-4-12/h9-12,14H,1-8H2.
What are the key properties of 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 275.37 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).