methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C9H19NO4S — CID 87433926

IUPACmethanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@@H]2CC[C@H]1CC(O)C2.CS(=O)(=O)O
InChIInChI=1S/C8H15NO.CH4O3S/c1-9-6-2-3-7(9)5-8(10)4-6;1-5(2,3)4/h6-8,10H,2-5H2,1H3;1H3,(H,2,3,4)/t6-,7+,8?;
InChIKeyZGDWCOFWXCBWKY-PAFGHYSMSA-N
MW237.32 g/mol
LogP0.11
Rot. Bonds

About methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 87433926) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Namemethanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID87433926
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@@H]2CC[C@H]1CC(O)C2.CS(=O)(=O)O
InChIInChI=1S/C8H15NO.CH4O3S/c1-9-6-2-3-7(9)5-8(10)4-6;1-5(2,3)4/h6-8,10H,2-5H2,1H3;1H3,(H,2,3,4)/t6-,7+,8?;
InChIKeyZGDWCOFWXCBWKY-PAFGHYSMSA-N
XLogP0.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 87433926) is methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1[C@@H]2CC[C@H]1CC(O)C2.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZGDWCOFWXCBWKY-PAFGHYSMSA-N. The full InChI is InChI=1S/C8H15NO.CH4O3S/c1-9-6-2-3-7(9)5-8(10)4-6;1-5(2,3)4/h6-8,10H,2-5H2,1H3;1H3,(H,2,3,4)/t6-,7+,8?;.
What are the key properties of methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.32 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 87433926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).