(2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane

C7H14O2S — CID 10397112

IUPAC(2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane
SMILESCCC[C@@H]1O[C@H]1C[S@@](C)=O
InChIInChI=1S/C7H14O2S/c1-3-4-6-7(9-6)5-10(2)8/h6-7H,3-5H2,1-2H3/t6-,7-,10+/m0/s1
InChIKeyVNDJYBMGBVEIJL-MHYGZLNHSA-N
MW162.25 g/mol
LogP0.93
Rot. Bonds4

About (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane

(2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane (PubChem CID 10397112) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane.

Molecular Properties

Compound Name(2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane
PubChem CID10397112
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane
SMILESCCC[C@@H]1O[C@H]1C[S@@](C)=O
InChIInChI=1S/C7H14O2S/c1-3-4-6-7(9-6)5-10(2)8/h6-7H,3-5H2,1-2H3/t6-,7-,10+/m0/s1
InChIKeyVNDJYBMGBVEIJL-MHYGZLNHSA-N
XLogP0.93
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane?
The IUPAC name of (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane (CID 10397112) is (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane.
What is the SMILES notation for (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane?
The canonical SMILES for (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane is CCC[C@@H]1O[C@H]1C[S@@](C)=O.
What is the InChIKey of (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane?
The InChIKey is VNDJYBMGBVEIJL-MHYGZLNHSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-4-6-7(9-6)5-10(2)8/h6-7H,3-5H2,1-2H3/t6-,7-,10+/m0/s1.
What are the key properties of (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane?
(2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane has a molecular weight of 162.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[(R)-methylsulfinyl]methyl]-3-propyloxirane is sourced from PubChem (CID 10397112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).