[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate

C5H10O4S — CID 59711072

IUPAC[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate
SMILESC[C@@]1(COS(C)(=O)=O)CO1
InChIInChI=1S/C5H10O4S/c1-5(3-8-5)4-9-10(2,6)7/h3-4H2,1-2H3/t5-/m0/s1
InChIKeyDLRYNKLOMFBGQX-YFKPBYRVSA-N
MW166.20 g/mol
LogP-0.25
Rot. Bonds3

About [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate

[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate (PubChem CID 59711072) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate
PubChem CID59711072
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate
SMILESC[C@@]1(COS(C)(=O)=O)CO1
InChIInChI=1S/C5H10O4S/c1-5(3-8-5)4-9-10(2,6)7/h3-4H2,1-2H3/t5-/m0/s1
InChIKeyDLRYNKLOMFBGQX-YFKPBYRVSA-N
XLogP-0.25
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-methyloxiran-2-yl]methyl methanesulfonate
CID 59711067
(2-methyloxiran-2-yl)methyl 4-methylbenzenesulfonate
CID 14237194
[(2R)-2-methyloxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10900803
[(2S)-2-methyloxiran-2-yl]methyl phenylmethanesulfonate
CID 139625793
[5-(2,2-dimethylpropanoylamino)-2,2-dimethyl-1,3-dioxan-5-yl]methyl methanesulfonate
CID 87213628
[3-(bromomethyl)oxetan-3-yl]methyl methanesulfonate
CID 11043465
[2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-5-yl]methyl methanesulfonate
CID 86661783
(3-propyloxetan-3-yl)methyl methanesulfonate
CID 19373423
2-methyl-2-(sulfanyloxymethyl)oxirane
CID 141439359
(4,4-difluoro-1-methylcyclohexyl)methyl methanesulfonate
CID 171548869
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
CID 66336733

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate?
The IUPAC name of [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate (CID 59711072) is [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate is C[C@@]1(COS(C)(=O)=O)CO1.
What is the InChIKey of [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate?
The InChIKey is DLRYNKLOMFBGQX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O4S/c1-5(3-8-5)4-9-10(2,6)7/h3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate?
[(2S)-2-methyloxiran-2-yl]methyl methanesulfonate has a molecular weight of 166.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyloxiran-2-yl]methyl methanesulfonate is sourced from PubChem (CID 59711072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).