[(2R)-1-(benzenesulfonyl)propan-2-yl] acetate

C11H14O4S — CID 847256

IUPAC[(2R)-1-(benzenesulfonyl)propan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O4S/c1-9(15-10(2)12)8-16(13,14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyWBOSGCSVWAZBAO-SECBINFHSA-N
MW242.30 g/mol
LogP1.41
Rot. Bonds4

About [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate

[(2R)-1-(benzenesulfonyl)propan-2-yl] acetate (PubChem CID 847256) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-(benzenesulfonyl)propan-2-yl] acetate
PubChem CID847256
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name[(2R)-1-(benzenesulfonyl)propan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14O4S/c1-9(15-10(2)12)8-16(13,14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyWBOSGCSVWAZBAO-SECBINFHSA-N
XLogP1.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl 2-(phenylsulfinyl)acetate
CID 84191
(Phenylsulfonyl)acetic acid
CID 59543
Methyl phenylsulfonyl acetate
CID 555619
17277-58-6
CID 123375
3-(Benzenesulfonyl)propanoic acid
CID 555252
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
Methyl (4-methylbenzene-1-sulfonyl)acetate
CID 39660
Sulfone, 2-acetoxypropyl phenyl
CID 538760
Acetic acid, (phenylthio)-, ethyl ester
CID 97312
Ethyl Fluoro(phenylthio)acetate
CID 11148583
1-(Phenylsulfonyl)butan-2-one
CID 11031155

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate?
The IUPAC name of [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate (CID 847256) is [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate?
The canonical SMILES for [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate is CC(=O)O[C@H](C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate?
The InChIKey is WBOSGCSVWAZBAO-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O4S/c1-9(15-10(2)12)8-16(13,14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate?
[(2R)-1-(benzenesulfonyl)propan-2-yl] acetate has a molecular weight of 242.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzenesulfonyl)propan-2-yl] acetate is sourced from PubChem (CID 847256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).