(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one

C15H16O5S — CID 135013584

IUPAC(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one
SMILESC[C@@H](CC(=O)CS(=O)(=O)c1ccccc1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C15H16O5S/c1-11(14-7-8-15(17)20-14)9-12(16)10-21(18,19)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyUNTQXNGLUWWKPY-SMDDNHRTSA-N
MW308.35 g/mol
LogP1.54
Rot. Bonds6

About (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one

(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one (PubChem CID 135013584) has the molecular formula C15H16O5S and a molecular weight of 308.35 g/mol. Its IUPAC name is (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one
PubChem CID135013584
Molecular FormulaC15H16O5S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one
SMILESC[C@@H](CC(=O)CS(=O)(=O)c1ccccc1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C15H16O5S/c1-11(14-7-8-15(17)20-14)9-12(16)10-21(18,19)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyUNTQXNGLUWWKPY-SMDDNHRTSA-N
XLogP1.54
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3,3-dimethyl-4-oxo-5-(phenylsulfonyl)pentanoate
CID 44437616
2-(benzenesulfonyl)ethyl (Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 117990564
Methyl 1-[2-(benzenesulfonyl)acetyl]-5,10-dimethyl-7-propan-2-ylheptalene-2-carboxylate
CID 12109954
[(3,4-Difluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
CID 172736315
[(3-Fluorophenyl)sulfonyl-(3-oxocyclopentyl)methyl] acetate
CID 172816018
4-(benzenesulfonyl)-5-[(E)-prop-1-enyl]oxolan-2-one
CID 10355562
(5S)-3-(benzenesulfonyl)-5-methyloxolan-2-one
CID 11064511
Methyl 2-[2-(benzenesulfonyl)propanoyl]-5,10-dimethyl-7-propan-2-ylheptalene-1-carboxylate
CID 12109959
[(E)-3-(benzenesulfonyl)-2-methyldodec-5-en-4-yl] acetate
CID 13265395
4-(Benzenesulfonyl)-5-(2-methylpropyl)oxolan-2-one
CID 13865190
(2S)-2-[4-(benzenesulfonyl)-3-oxobutyl]-2H-furan-5-one
CID 24854479
Ethyl 2-(benzenesulfonyl)-4-methylpent-2-enoate
CID 86096588

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one (CID 135013584) is (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one is C[C@@H](CC(=O)CS(=O)(=O)c1ccccc1)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one?
The InChIKey is UNTQXNGLUWWKPY-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H16O5S/c1-11(14-7-8-15(17)20-14)9-12(16)10-21(18,19)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one?
(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one has a molecular weight of 308.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 135013584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).