(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one

C17H17NO3S — CID 53240197

IUPAC(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H17NO3S/c19-17-13-22(20,21)18(12-15-9-5-2-6-10-15)16(17)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyGKYVZBXZXSZDRK-INIZCTEOSA-N
MW315.39 g/mol
LogP2.01
Rot. Bonds4

About (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one

(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one (PubChem CID 53240197) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one.

Molecular Properties

Compound Name(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one
PubChem CID53240197
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H17NO3S/c19-17-13-22(20,21)18(12-15-9-5-2-6-10-15)16(17)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyGKYVZBXZXSZDRK-INIZCTEOSA-N
XLogP2.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione
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1,3-dibenzyl-2,2-dimethylpiperidin-4-one
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(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one
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(2-benzyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl methanesulfonate
CID 169259572
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
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CID 83848143
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CID 83670241
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CID 102075291
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1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one?
The IUPAC name of (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one (CID 53240197) is (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one.
What is the SMILES notation for (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one?
The canonical SMILES for (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one is O=C1CS(=O)(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one?
The InChIKey is GKYVZBXZXSZDRK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-17-13-22(20,21)18(12-15-9-5-2-6-10-15)16(17)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one?
(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one has a molecular weight of 315.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one is sourced from PubChem (CID 53240197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).