[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate

C5H9ClO4S — CID 130969143

IUPAC[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1COC[C@@H]1Cl
InChIInChI=1S/C5H9ClO4S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyLVYJUNHEDWAEBF-WHFBIAKZSA-N
MW200.64 g/mol
LogP-0.03
Rot. Bonds2

About [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate

[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate (PubChem CID 130969143) has the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol. Its IUPAC name is [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate
PubChem CID130969143
Molecular FormulaC5H9ClO4S
Molecular Weight200.64 g/mol
Exact Mass199.99
IUPAC Name[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1COC[C@@H]1Cl
InChIInChI=1S/C5H9ClO4S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyLVYJUNHEDWAEBF-WHFBIAKZSA-N
XLogP-0.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorooxolan-3-yl) methanesulfonate
CID 130020241
methane;(4-methyloxolan-3-yl) methanesulfonate
CID 159316160
[(3S,4R)-3-fluorooxan-4-yl] methanesulfonate
CID 99771020
[(1S,2R)-2-methylcyclopropyl] methanesulfonate
CID 58208879
1,3-dioxan-5-yl methanesulfonate
CID 87145113
[(3R,4R)-4-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate
CID 54191195
(4-methylsulfonyloxypyrrolidin-3-yl) methanesulfonate
CID 13329888
[(3R,4R,5S,6S)-6-methoxy-4,5-bis(methylsulfonyloxy)oxan-3-yl] methanesulfonate
CID 98524476
[(3R,4R,5S,6R)-6-methoxy-4,5-bis(methylsulfonyloxy)oxan-3-yl] methanesulfonate
CID 98524477
potassium;hydride;oxiran-2-yl methanesulfonate
CID 175455854
(3-methyl-2H-oxet-2-yl) methanesulfonate
CID 140693311
oxetan-3-ylmethyl methanesulfonate
CID 86680078

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate?
The IUPAC name of [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate (CID 130969143) is [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@H]1COC[C@@H]1Cl.
What is the InChIKey of [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate?
The InChIKey is LVYJUNHEDWAEBF-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H9ClO4S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate?
[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate has a molecular weight of 200.64 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate is sourced from PubChem (CID 130969143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).