8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C9H17NO4S — CID 79579203

IUPAC8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CCO)N1C2CCC1CC(O)C2
InChIInChI=1S/C9H17NO4S/c11-3-4-15(13,14)10-7-1-2-8(10)6-9(12)5-7/h7-9,11-12H,1-6H2
InChIKeyBBMTVPVNQNANAG-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.70
Rot. Bonds3

About 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79579203) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79579203
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CCO)N1C2CCC1CC(O)C2
InChIInChI=1S/C9H17NO4S/c11-3-4-15(13,14)10-7-1-2-8(10)6-9(12)5-7/h7-9,11-12H,1-6H2
InChIKeyBBMTVPVNQNANAG-UHFFFAOYSA-N
XLogP-0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 79579203) is 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(CCO)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BBMTVPVNQNANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-3-4-15(13,14)10-7-1-2-8(10)6-9(12)5-7/h7-9,11-12H,1-6H2.
What are the key properties of 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 235.30 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).