[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate

C15H16O5S — CID 87381062

IUPAC[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate
SMILESCS(=O)(=O)OC[C@@H](Oc1ccc2ccccc2c1)[C@@H]1CO1
InChIInChI=1S/C15H16O5S/c1-21(16,17)19-10-15(14-9-18-14)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyPMYYPYUQLYERRC-LSDHHAIUSA-N
MW308.36 g/mol
LogP1.96
Rot. Bonds6

About [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate

[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate (PubChem CID 87381062) has the molecular formula C15H16O5S and a molecular weight of 308.36 g/mol. Its IUPAC name is [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate
PubChem CID87381062
Molecular FormulaC15H16O5S
Molecular Weight308.36 g/mol
Exact Mass308.07
IUPAC Name[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate
SMILESCS(=O)(=O)OC[C@@H](Oc1ccc2ccccc2c1)[C@@H]1CO1
InChIInChI=1S/C15H16O5S/c1-21(16,17)19-10-15(14-9-18-14)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyPMYYPYUQLYERRC-LSDHHAIUSA-N
XLogP1.96
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3-methyl-4-naphthalen-2-yloxybutan-2-yl) methanesulfonate
CID 90277547
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
[(1R)-1-[(4R,5R)-2,2-dimethyl-5-[(1R)-1-methylsulfonyloxy-2-naphthalen-2-ylethyl]-1,3-dioxolan-4-yl]-2-naphthalen-2-ylethyl] methanesulfonate
CID 54344137
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
2-[naphthalen-2-yl(prop-2-ynoxy)methyl]oxirane
CID 10799946
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate
CID 175404510
2-hydroxy-5,5-dimethyl-2-naphthalen-2-yloxy-1,3,2-dioxaphosphinan-2-ium
CID 174787192
2-naphthalen-2-yloxypropane-1,1-diol
CID 91391237
ethyl naphthalene-2-sulfonate;iron
CID 87451141

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate?
The IUPAC name of [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate (CID 87381062) is [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate.
What is the SMILES notation for [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate?
The canonical SMILES for [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate is CS(=O)(=O)OC[C@@H](Oc1ccc2ccccc2c1)[C@@H]1CO1.
What is the InChIKey of [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate?
The InChIKey is PMYYPYUQLYERRC-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H16O5S/c1-21(16,17)19-10-15(14-9-18-14)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-15H,9-10H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate?
[(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate has a molecular weight of 308.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-naphthalen-2-yloxy-2-[(2S)-oxiran-2-yl]ethyl] methanesulfonate is sourced from PubChem (CID 87381062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).