(5S)-5-(2-methylsulfonylethyl)oxolan-2-one

C7H12O4S — CID 134163414

IUPAC(5S)-5-(2-methylsulfonylethyl)oxolan-2-one
SMILESCS(=O)(=O)CC[C@@H]1CCC(=O)O1
InChIInChI=1S/C7H12O4S/c1-12(9,10)5-4-6-2-3-7(8)11-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyJFRLEINDXGJNJV-LURJTMIESA-N
MW192.24 g/mol
LogP0.13
Rot. Bonds3

About (5S)-5-(2-methylsulfonylethyl)oxolan-2-one

(5S)-5-(2-methylsulfonylethyl)oxolan-2-one (PubChem CID 134163414) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is (5S)-5-(2-methylsulfonylethyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(2-methylsulfonylethyl)oxolan-2-one
PubChem CID134163414
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name(5S)-5-(2-methylsulfonylethyl)oxolan-2-one
SMILESCS(=O)(=O)CC[C@@H]1CCC(=O)O1
InChIInChI=1S/C7H12O4S/c1-12(9,10)5-4-6-2-3-7(8)11-6/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyJFRLEINDXGJNJV-LURJTMIESA-N
XLogP0.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methylsulfonylethyl)oxolan-2-one?
The IUPAC name of (5S)-5-(2-methylsulfonylethyl)oxolan-2-one (CID 134163414) is (5S)-5-(2-methylsulfonylethyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(2-methylsulfonylethyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(2-methylsulfonylethyl)oxolan-2-one is CS(=O)(=O)CC[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-(2-methylsulfonylethyl)oxolan-2-one?
The InChIKey is JFRLEINDXGJNJV-LURJTMIESA-N. The full InChI is InChI=1S/C7H12O4S/c1-12(9,10)5-4-6-2-3-7(8)11-6/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-(2-methylsulfonylethyl)oxolan-2-one?
(5S)-5-(2-methylsulfonylethyl)oxolan-2-one has a molecular weight of 192.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylsulfonylethyl)oxolan-2-one is sourced from PubChem (CID 134163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).