2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane

C11H14O4S — CID 162420097

IUPAC2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane
SMILESCOc1ccc(S(=O)(=O)CCC2CO2)cc1
InChIInChI=1S/C11H14O4S/c1-14-9-2-4-11(5-3-9)16(12,13)7-6-10-8-15-10/h2-5,10H,6-8H2,1H3
InChIKeyTWZZVQAVITXSGJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.26
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane

2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane (PubChem CID 162420097) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane
PubChem CID162420097
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane
SMILESCOc1ccc(S(=O)(=O)CCC2CO2)cc1
InChIInChI=1S/C11H14O4S/c1-14-9-2-4-11(5-3-9)16(12,13)7-6-10-8-15-10/h2-5,10H,6-8H2,1H3
InChIKeyTWZZVQAVITXSGJ-UHFFFAOYSA-N
XLogP1.26
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butylsulfonyl-4-methoxybenzene
CID 12696371
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
CID 117036317
1-(2-azidoethylsulfonyl)-4-methoxybenzene
CID 61396962
N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
CID 117036414
1-methoxy-4-(3-phenylpropylsulfonyl)benzene
CID 54270820
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343
2-[2-(4-methoxyphenyl)sulfonylethylamino]ethanol
CID 139892733
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
2-[(2R)-oxiran-2-yl]ethyl 4-methylbenzenesulfonate
CID 11770614
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane?
The IUPAC name of 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane (CID 162420097) is 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane?
The canonical SMILES for 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane is COc1ccc(S(=O)(=O)CCC2CO2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane?
The InChIKey is TWZZVQAVITXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-14-9-2-4-11(5-3-9)16(12,13)7-6-10-8-15-10/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane?
2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane has a molecular weight of 242.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)sulfonylethyl]oxirane is sourced from PubChem (CID 162420097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).