[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol

C11H14BrNO5S — CID 66371324

IUPAC[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol
SMILESO=S(=O)(c1cc(CO)oc1Br)N1CC2CCC(C1)O2
InChIInChI=1S/C11H14BrNO5S/c12-11-10(3-9(6-14)18-11)19(15,16)13-4-7-1-2-8(5-13)17-7/h3,7-8,14H,1-2,4-6H2
InChIKeyOGZLVZGCALOQOL-UHFFFAOYSA-N
MW352.21 g/mol
LogP1.09
Rot. Bonds3

About [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol

[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol (PubChem CID 66371324) has the molecular formula C11H14BrNO5S and a molecular weight of 352.21 g/mol. Its IUPAC name is [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol
PubChem CID66371324
Molecular FormulaC11H14BrNO5S
Molecular Weight352.21 g/mol
Exact Mass350.98
IUPAC Name[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol
SMILESO=S(=O)(c1cc(CO)oc1Br)N1CC2CCC(C1)O2
InChIInChI=1S/C11H14BrNO5S/c12-11-10(3-9(6-14)18-11)19(15,16)13-4-7-1-2-8(5-13)17-7/h3,7-8,14H,1-2,4-6H2
InChIKeyOGZLVZGCALOQOL-UHFFFAOYSA-N
XLogP1.09
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol?
The IUPAC name of [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol (CID 66371324) is [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol.
What is the SMILES notation for [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol?
The canonical SMILES for [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol is O=S(=O)(c1cc(CO)oc1Br)N1CC2CCC(C1)O2.
What is the InChIKey of [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol?
The InChIKey is OGZLVZGCALOQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S/c12-11-10(3-9(6-14)18-11)19(15,16)13-4-7-1-2-8(5-13)17-7/h3,7-8,14H,1-2,4-6H2.
What are the key properties of [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol?
[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol has a molecular weight of 352.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol is sourced from PubChem (CID 66371324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).