2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol

C10H19NO3S — CID 58959888

IUPAC2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol
SMILESCC1CC2CCC(C1)N2S(=O)(=O)CCO
InChIInChI=1S/C10H19NO3S/c1-8-6-9-2-3-10(7-8)11(9)15(13,14)5-4-12/h8-10,12H,2-7H2,1H3
InChIKeyVUDMFXRWTKIIGJ-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.57
Rot. Bonds3

About 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol

2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol (PubChem CID 58959888) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol
PubChem CID58959888
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol
SMILESCC1CC2CCC(C1)N2S(=O)(=O)CCO
InChIInChI=1S/C10H19NO3S/c1-8-6-9-2-3-10(7-8)11(9)15(13,14)5-4-12/h8-10,12H,2-7H2,1H3
InChIKeyVUDMFXRWTKIIGJ-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol?
The IUPAC name of 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol (CID 58959888) is 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol.
What is the SMILES notation for 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol?
The canonical SMILES for 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol is CC1CC2CCC(C1)N2S(=O)(=O)CCO.
What is the InChIKey of 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol?
The InChIKey is VUDMFXRWTKIIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8-6-9-2-3-10(7-8)11(9)15(13,14)5-4-12/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol?
2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol has a molecular weight of 233.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]ethanol is sourced from PubChem (CID 58959888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).