(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one

C11H12O4S — CID 11064511

IUPAC(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one
SMILESC[C@H]1CC(S(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C11H12O4S/c1-8-7-10(11(12)15-8)16(13,14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10?/m0/s1
InChIKeyMCIVMVWTMLITKQ-PEHGTWAWSA-N
MW240.28 g/mol
LogP1.16
Rot. Bonds2

About (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one

(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one (PubChem CID 11064511) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one
PubChem CID11064511
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one
SMILESC[C@H]1CC(S(=O)(=O)c2ccccc2)C(=O)O1
InChIInChI=1S/C11H12O4S/c1-8-7-10(11(12)15-8)16(13,14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10?/m0/s1
InChIKeyMCIVMVWTMLITKQ-PEHGTWAWSA-N
XLogP1.16
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl phenylsulfonyl acetate
CID 555619
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
Sulfone, 2-acetoxypropyl phenyl
CID 538760
3-(4-Methylphenyl)sulfonyloxolan-2-one
CID 2947420
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
Ethyl 3,3-dimethyl-4-oxo-5-(phenylsulfonyl)pentanoate
CID 44437616
Propanoic acid, 2-oxo-3-(phenylsulfonyl)-, ethyl ester
CID 3042010
Ethyl 2-fluoro-2-(phenylsulfonyl)acetate
CID 14064388
Ethyl 2-(benzenesulfonyl)-1-fluorocyclopropane-1-carboxylate
CID 135063084
Ethyl 2-(benzenesulfonyl)propanoate
CID 10728867
(1R,5S)-1-(Phenylsulfonyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 11096656

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one?
The IUPAC name of (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one (CID 11064511) is (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one.
What is the SMILES notation for (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one?
The canonical SMILES for (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one is C[C@H]1CC(S(=O)(=O)c2ccccc2)C(=O)O1.
What is the InChIKey of (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one?
The InChIKey is MCIVMVWTMLITKQ-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H12O4S/c1-8-7-10(11(12)15-8)16(13,14)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10?/m0/s1.
What are the key properties of (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one?
(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one has a molecular weight of 240.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one is sourced from PubChem (CID 11064511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).