8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H20BrNO3S — CID 63768885

IUPAC8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CCN1C2CCC1CC(O)C2)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3S/c16-11-1-5-15(6-2-11)21(19,20)8-7-17-12-3-4-13(17)10-14(18)9-12/h1-2,5-6,12-14,18H,3-4,7-10H2
InChIKeyJCNALSITNQLGOL-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.21
Rot. Bonds4

About 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768885) has the molecular formula C15H20BrNO3S and a molecular weight of 374.30 g/mol. Its IUPAC name is 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768885
Molecular FormulaC15H20BrNO3S
Molecular Weight374.30 g/mol
Exact Mass373.03
IUPAC Name8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(CCN1C2CCC1CC(O)C2)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3S/c16-11-1-5-15(6-2-11)21(19,20)8-7-17-12-3-4-13(17)10-14(18)9-12/h1-2,5-6,12-14,18H,3-4,7-10H2
InChIKeyJCNALSITNQLGOL-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol 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 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768885) is 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(CCN1C2CCC1CC(O)C2)c1ccc(Br)cc1.
What is the InChIKey of 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JCNALSITNQLGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3S/c16-11-1-5-15(6-2-11)21(19,20)8-7-17-12-3-4-13(17)10-14(18)9-12/h1-2,5-6,12-14,18H,3-4,7-10H2.
What are the key properties of 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 374.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-bromophenyl)sulfonylethyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).