(4-chlorooxolan-3-yl) methanesulfonate

C5H9ClO4S — CID 130020241

IUPAC(4-chlorooxolan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1COCC1Cl
InChIInChI=1S/C5H9ClO4S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-5H,2-3H2,1H3
InChIKeyLVYJUNHEDWAEBF-UHFFFAOYSA-N
MW200.64 g/mol
LogP-0.03
Rot. Bonds2

About (4-chlorooxolan-3-yl) methanesulfonate

(4-chlorooxolan-3-yl) methanesulfonate (PubChem CID 130020241) has the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol. Its IUPAC name is (4-chlorooxolan-3-yl) methanesulfonate.

Molecular Properties

Compound Name(4-chlorooxolan-3-yl) methanesulfonate
PubChem CID130020241
Molecular FormulaC5H9ClO4S
Molecular Weight200.64 g/mol
Exact Mass199.99
IUPAC Name(4-chlorooxolan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1COCC1Cl
InChIInChI=1S/C5H9ClO4S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-5H,2-3H2,1H3
InChIKeyLVYJUNHEDWAEBF-UHFFFAOYSA-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 (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

[(3S,4S)-4-chlorooxolan-3-yl] methanesulfonate
CID 130969143
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
(4-methylsulfonyloxypyrrolidin-3-yl) methanesulfonate
CID 13329888
[(3R,4R)-4-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate
CID 54191195
[(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 (4-chlorooxolan-3-yl) methanesulfonate?
The IUPAC name of (4-chlorooxolan-3-yl) methanesulfonate (CID 130020241) is (4-chlorooxolan-3-yl) methanesulfonate.
What is the SMILES notation for (4-chlorooxolan-3-yl) methanesulfonate?
The canonical SMILES for (4-chlorooxolan-3-yl) methanesulfonate is CS(=O)(=O)OC1COCC1Cl.
What is the InChIKey of (4-chlorooxolan-3-yl) methanesulfonate?
The InChIKey is LVYJUNHEDWAEBF-UHFFFAOYSA-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.
What are the key properties of (4-chlorooxolan-3-yl) methanesulfonate?
(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 (4-chlorooxolan-3-yl) methanesulfonate is sourced from PubChem (CID 130020241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).