(6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one

C20H22O4S — CID 13474383

IUPAC(6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one
SMILESO=C1CCC[C@H]([C@@H](CCc2ccccc2)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C20H22O4S/c21-20-13-7-12-18(24-20)19(15-14-16-8-3-1-4-9-16)25(22,23)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2/t18-,19-/m1/s1
InChIKeyVGYAZKONLFXCTI-RTBURBONSA-N
MW358.46 g/mol
LogP3.56
Rot. Bonds6

About (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one

(6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one (PubChem CID 13474383) has the molecular formula C20H22O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one
PubChem CID13474383
Molecular FormulaC20H22O4S
Molecular Weight358.46 g/mol
Exact Mass358.12
IUPAC Name(6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one
SMILESO=C1CCC[C@H]([C@@H](CCc2ccccc2)S(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C20H22O4S/c21-20-13-7-12-18(24-20)19(15-14-16-8-3-1-4-9-16)25(22,23)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2/t18-,19-/m1/s1
InChIKeyVGYAZKONLFXCTI-RTBURBONSA-N
XLogP3.56
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one?
The IUPAC name of (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one (CID 13474383) is (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one.
What is the SMILES notation for (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one?
The canonical SMILES for (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one is O=C1CCC[C@H]([C@@H](CCc2ccccc2)S(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one?
The InChIKey is VGYAZKONLFXCTI-RTBURBONSA-N. The full InChI is InChI=1S/C20H22O4S/c21-20-13-7-12-18(24-20)19(15-14-16-8-3-1-4-9-16)25(22,23)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2/t18-,19-/m1/s1.
What are the key properties of (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one?
(6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R)-1-(benzenesulfonyl)-3-phenylpropyl]oxan-2-one is sourced from PubChem (CID 13474383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).