(2S,3S)-2-(benzenesulfonyl)-3-methyloxirane

C9H10O3S — CID 131851922

IUPAC(2S,3S)-2-(benzenesulfonyl)-3-methyloxirane
SMILESC[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-7-9(12-7)13(10,11)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m0/s1
InChIKeyKIOBERGMXQARSC-CBAPKCEASA-N
MW198.24 g/mol
LogP1.21
Rot. Bonds2

About (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane

(2S,3S)-2-(benzenesulfonyl)-3-methyloxirane (PubChem CID 131851922) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-(benzenesulfonyl)-3-methyloxirane
PubChem CID131851922
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name(2S,3S)-2-(benzenesulfonyl)-3-methyloxirane
SMILESC[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H10O3S/c1-7-9(12-7)13(10,11)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m0/s1
InChIKeyKIOBERGMXQARSC-CBAPKCEASA-N
XLogP1.21
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl 2-(phenylsulfinyl)acetate
CID 84191
(Ethylsulphonyl)benzene
CID 69032
Butyl phenyl sulfone
CID 238507
Methyl phenylsulfonyl acetate
CID 555619
1,1-Dioxo-3-2,3-dihydrothienyl benzenesulfonate
CID 2831158
((1-Methylethyl)sulfonyl)benzene
CID 199476
Methoxymethyl Phenyl Sulfone
CID 366072
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
Cyclopropanesulphonylbenzene
CID 11309899

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane?
The IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane (CID 131851922) is (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane.
What is the SMILES notation for (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane?
The canonical SMILES for (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane is C[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane?
The InChIKey is KIOBERGMXQARSC-CBAPKCEASA-N. The full InChI is InChI=1S/C9H10O3S/c1-7-9(12-7)13(10,11)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane?
(2S,3S)-2-(benzenesulfonyl)-3-methyloxirane has a molecular weight of 198.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(benzenesulfonyl)-3-methyloxirane is sourced from PubChem (CID 131851922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).