8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

C11H21NO3S — CID 63763350

IUPAC8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H21NO3S/c1-2-3-6-16(14,15)12-9-4-5-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3
InChIKeyWIHJXKPPBVFGCP-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.10
Rot. Bonds4

About 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol

8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763350) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763350
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C11H21NO3S/c1-2-3-6-16(14,15)12-9-4-5-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3
InChIKeyWIHJXKPPBVFGCP-UHFFFAOYSA-N
XLogP1.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol (CID 63763350) is 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is CCCCS(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WIHJXKPPBVFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-3-6-16(14,15)12-9-4-5-10(12)8-11(13)7-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol?
8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 247.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).