1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone

C18H25NO4S — CID 167777552

IUPAC1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone
SMILESCC1(C)COC(CC(=O)N2C(Cc3ccccc3)CCS2(=O)=O)C1
InChIInChI=1S/C18H25NO4S/c1-18(2)12-16(23-13-18)11-17(20)19-15(8-9-24(19,21)22)10-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyAMHSEAZTVAANNG-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone

1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone (PubChem CID 167777552) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone
PubChem CID167777552
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone
SMILESCC1(C)COC(CC(=O)N2C(Cc3ccccc3)CCS2(=O)=O)C1
InChIInChI=1S/C18H25NO4S/c1-18(2)12-16(23-13-18)11-17(20)19-15(8-9-24(19,21)22)10-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyAMHSEAZTVAANNG-UHFFFAOYSA-N
XLogP2.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone with MolForge

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Related Compounds

2-benzyl-4,4-dimethyloxolane
CID 102308399
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324
1-(2-benzyl-5,5-dimethylmorpholin-4-yl)pentan-1-one
CID 110643761
2-benzyl-N-(2,2-dimethylpropyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110746745
(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 110673210
(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one
CID 58101971
(4R)-4-benzyl-3-(2-chloroacetyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 11594357
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
N-[(2S,4R)-2-benzyl-4-methyloxan-4-yl]acetamide
CID 53381492
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
cis-methyl (1R,2R)-1-amino-2-benzylcyclobutane-1-carboxylate
CID 129418563
(2S)-2-amino-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-phenylpropan-1-one
CID 10893816

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone?
The IUPAC name of 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone (CID 167777552) is 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone.
What is the SMILES notation for 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone?
The canonical SMILES for 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone is CC1(C)COC(CC(=O)N2C(Cc3ccccc3)CCS2(=O)=O)C1.
What is the InChIKey of 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone?
The InChIKey is AMHSEAZTVAANNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-18(2)12-16(23-13-18)11-17(20)19-15(8-9-24(19,21)22)10-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3.
What are the key properties of 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone?
1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone has a molecular weight of 351.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,1-dioxo-1,2-thiazolidin-2-yl)-2-(4,4-dimethyloxolan-2-yl)ethanone is sourced from PubChem (CID 167777552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).