1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one

C12H15NO3S — CID 62023614

IUPAC1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCCS1(=O)=O
InChIInChI=1S/C12H15NO3S/c14-12(9-11-5-2-1-3-6-11)10-13-7-4-8-17(13,15)16/h1-3,5-6H,4,7-10H2
InChIKeyRLVVJKRSNYQCKB-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.83
Rot. Bonds4

About 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one (PubChem CID 62023614) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one
PubChem CID62023614
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCCS1(=O)=O
InChIInChI=1S/C12H15NO3S/c14-12(9-11-5-2-1-3-6-11)10-13-7-4-8-17(13,15)16/h1-3,5-6H,4,7-10H2
InChIKeyRLVVJKRSNYQCKB-UHFFFAOYSA-N
XLogP0.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
CID 62023801
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347312
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
CID 62025819
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
CID 99840592
N-(3-aminopropyl)-N-benzyl-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide;hydrochloride
CID 120649716
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
CID 110687706
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropanoic acid
CID 24689195
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971
N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
CID 120885058
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiophene-2-carboxylic acid
CID 63639692

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one?
The IUPAC name of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one (CID 62023614) is 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one is O=C(Cc1ccccc1)CN1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one?
The InChIKey is RLVVJKRSNYQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-12(9-11-5-2-1-3-6-11)10-13-7-4-8-17(13,15)16/h1-3,5-6H,4,7-10H2.
What are the key properties of 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one?
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one has a molecular weight of 253.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one is sourced from PubChem (CID 62023614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).