8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H23NO3S — CID 55260343

IUPAC8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)CCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H23NO3S/c1-9(2)5-6-17(15,16)13-10-3-4-11(13)8-12(14)7-10/h9-12,14H,3-8H2,1-2H3
InChIKeyLJWFVJQIQPLROK-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.35
Rot. Bonds4

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

8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55260343) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55260343
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)CCS(=O)(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H23NO3S/c1-9(2)5-6-17(15,16)13-10-3-4-11(13)8-12(14)7-10/h9-12,14H,3-8H2,1-2H3
InChIKeyLJWFVJQIQPLROK-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(3-methylbutylsulfonyl)-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-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55260343) is 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)CCS(=O)(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LJWFVJQIQPLROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-9(2)5-6-17(15,16)13-10-3-4-11(13)8-12(14)7-10/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 261.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55260343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).