1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol

C10H12O4S — CID 134986707

IUPAC1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol
SMILESCC(O)[C@]1(S(=O)(=O)c2ccccc2)CO1
InChIInChI=1S/C10H12O4S/c1-8(11)10(7-14-10)15(12,13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8?,10-/m1/s1
InChIKeyAUDAIPDSUVCFPS-LHIURRSHSA-N
MW228.27 g/mol
LogP0.57
Rot. Bonds3

About 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol

1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol (PubChem CID 134986707) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol
PubChem CID134986707
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol
SMILESCC(O)[C@]1(S(=O)(=O)c2ccccc2)CO1
InChIInChI=1S/C10H12O4S/c1-8(11)10(7-14-10)15(12,13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8?,10-/m1/s1
InChIKeyAUDAIPDSUVCFPS-LHIURRSHSA-N
XLogP0.57
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
1-(Benzenesulfonyl)propan-2-ol
CID 547258
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438
[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
CID 11184049
2-[[(E)-2-(benzenesulfonyl)ethenoxy]methyl]oxirane
CID 15480608
(2S)-2-(benzenesulfonyl)butan-1-ol
CID 155934407
4-(Benzenesulfonyl)butan-2-ol
CID 10943848
(r)-(-)-4-(Phenylsulfonyl)-2-butanol
CID 11138464
2-(Benzenesulfonyl)heptan-3-ol
CID 12776914
1,2,3-Propanetriol, 1-benzenesulfonate
CID 87113952

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol?
The IUPAC name of 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol (CID 134986707) is 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol is CC(O)[C@]1(S(=O)(=O)c2ccccc2)CO1.
What is the InChIKey of 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol?
The InChIKey is AUDAIPDSUVCFPS-LHIURRSHSA-N. The full InChI is InChI=1S/C10H12O4S/c1-8(11)10(7-14-10)15(12,13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8?,10-/m1/s1.
What are the key properties of 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol?
1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol has a molecular weight of 228.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol is sourced from PubChem (CID 134986707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).