[(1S,2R)-2-methylcyclopropyl] methanesulfonate

C5H10O3S — CID 58208879

IUPAC[(1S,2R)-2-methylcyclopropyl] methanesulfonate
SMILESC[C@@H]1C[C@@H]1OS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-4-3-5(4)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyHQARCUNNCRJYSD-UHNVWZDZSA-N
MW150.20 g/mol
LogP0.37
Rot. Bonds2

About [(1S,2R)-2-methylcyclopropyl] methanesulfonate

[(1S,2R)-2-methylcyclopropyl] methanesulfonate (PubChem CID 58208879) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is [(1S,2R)-2-methylcyclopropyl] methanesulfonate.

Molecular Properties

Compound Name[(1S,2R)-2-methylcyclopropyl] methanesulfonate
PubChem CID58208879
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name[(1S,2R)-2-methylcyclopropyl] methanesulfonate
SMILESC[C@@H]1C[C@@H]1OS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-4-3-5(4)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyHQARCUNNCRJYSD-UHNVWZDZSA-N
XLogP0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,2R)-2-methylcyclopropyl] methanesulfonate 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 [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
The IUPAC name of [(1S,2R)-2-methylcyclopropyl] methanesulfonate (CID 58208879) is [(1S,2R)-2-methylcyclopropyl] methanesulfonate.
What is the SMILES notation for [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
The canonical SMILES for [(1S,2R)-2-methylcyclopropyl] methanesulfonate is C[C@@H]1C[C@@H]1OS(C)(=O)=O.
What is the InChIKey of [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
The InChIKey is HQARCUNNCRJYSD-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4-3-5(4)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
[(1S,2R)-2-methylcyclopropyl] methanesulfonate has a molecular weight of 150.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methylcyclopropyl] methanesulfonate is sourced from PubChem (CID 58208879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).