5-(methylsulfinylmethyl)oxolan-2-one

C6H10O3S — CID 3028406

IUPAC5-(methylsulfinylmethyl)oxolan-2-one
SMILESCS(=O)CC1CCC(=O)O1
InChIInChI=1S/C6H10O3S/c1-10(8)4-5-2-3-6(7)9-5/h5H,2-4H2,1H3
InChIKeyAMEYHHZICBVRCS-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.07
Rot. Bonds2

About 5-(methylsulfinylmethyl)oxolan-2-one

5-(methylsulfinylmethyl)oxolan-2-one (PubChem CID 3028406) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-(methylsulfinylmethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(methylsulfinylmethyl)oxolan-2-one
PubChem CID3028406
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5-(methylsulfinylmethyl)oxolan-2-one
SMILESCS(=O)CC1CCC(=O)O1
InChIInChI=1S/C6H10O3S/c1-10(8)4-5-2-3-6(7)9-5/h5H,2-4H2,1H3
InChIKeyAMEYHHZICBVRCS-UHFFFAOYSA-N
XLogP0.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfinylmethyl)oxolan-2-one?
The IUPAC name of 5-(methylsulfinylmethyl)oxolan-2-one (CID 3028406) is 5-(methylsulfinylmethyl)oxolan-2-one.
What is the SMILES notation for 5-(methylsulfinylmethyl)oxolan-2-one?
The canonical SMILES for 5-(methylsulfinylmethyl)oxolan-2-one is CS(=O)CC1CCC(=O)O1.
What is the InChIKey of 5-(methylsulfinylmethyl)oxolan-2-one?
The InChIKey is AMEYHHZICBVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-10(8)4-5-2-3-6(7)9-5/h5H,2-4H2,1H3.
What are the key properties of 5-(methylsulfinylmethyl)oxolan-2-one?
5-(methylsulfinylmethyl)oxolan-2-one has a molecular weight of 162.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfinylmethyl)oxolan-2-one is sourced from PubChem (CID 3028406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).