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

C10H19NO4S — CID 63763159

IUPAC8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO4S/c1-15-4-5-16(13,14)11-8-2-3-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3
InChIKeyBSGCGGCVLRRMEI-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.05
Rot. Bonds4

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

8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763159) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763159
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19NO4S/c1-15-4-5-16(13,14)11-8-2-3-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3
InChIKeyBSGCGGCVLRRMEI-UHFFFAOYSA-N
XLogP-0.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763159) is 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is COCCS(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BSGCGGCVLRRMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-15-4-5-16(13,14)11-8-2-3-9(11)7-10(12)6-8/h8-10,12H,2-7H2,1H3.
What are the key properties of 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 249.33 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).