[(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate

C7H14O3S — CID 58097982

IUPAC[(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate
SMILESCC[C@H]1C[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-3-6-4-7(6)5-10-11(2,8)9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyIIUFLFCUOLUDDR-NKWVEPMBSA-N
MW178.25 g/mol
LogP1.01
Rot. Bonds4

About [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate

[(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate (PubChem CID 58097982) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate.

Molecular Properties

Compound Name[(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate
PubChem CID58097982
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name[(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate
SMILESCC[C@H]1C[C@@H]1COS(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-3-6-4-7(6)5-10-11(2,8)9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyIIUFLFCUOLUDDR-NKWVEPMBSA-N
XLogP1.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,2S)-2-ethylcyclopropyl]methyl 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,2S)-2-ethylcyclopropyl]methyl methanesulfonate?
The IUPAC name of [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate (CID 58097982) is [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate.
What is the SMILES notation for [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate?
The canonical SMILES for [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate is CC[C@H]1C[C@@H]1COS(C)(=O)=O.
What is the InChIKey of [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate?
The InChIKey is IIUFLFCUOLUDDR-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14O3S/c1-3-6-4-7(6)5-10-11(2,8)9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate?
[(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate has a molecular weight of 178.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethylcyclopropyl]methyl methanesulfonate is sourced from PubChem (CID 58097982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).