[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate

C8H15NO3S — CID 59540933

IUPAC[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate
SMILESCN1C[C@@H]2C(COS(C)(=O)=O)[C@@H]2C1
InChIInChI=1S/C8H15NO3S/c1-9-3-6-7(4-9)8(6)5-12-13(2,10)11/h6-8H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyCPUCPKGYAMTBIV-DHBOJHSNSA-N
MW205.28 g/mol
LogP-0.23
Rot. Bonds3

About [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate

[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate (PubChem CID 59540933) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate
PubChem CID59540933
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate
SMILESCN1C[C@@H]2C(COS(C)(=O)=O)[C@@H]2C1
InChIInChI=1S/C8H15NO3S/c1-9-3-6-7(4-9)8(6)5-12-13(2,10)11/h6-8H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyCPUCPKGYAMTBIV-DHBOJHSNSA-N
XLogP-0.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate?
The IUPAC name of [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate (CID 59540933) is [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate.
What is the SMILES notation for [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate?
The canonical SMILES for [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate is CN1C[C@@H]2C(COS(C)(=O)=O)[C@@H]2C1.
What is the InChIKey of [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate?
The InChIKey is CPUCPKGYAMTBIV-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-9-3-6-7(4-9)8(6)5-12-13(2,10)11/h6-8H,3-5H2,1-2H3/t6-,7+,8?.
What are the key properties of [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate?
[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate has a molecular weight of 205.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl methanesulfonate is sourced from PubChem (CID 59540933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).