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

C12H16N2O3S — CID 22610276

IUPAC2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O3S/c13-11(8-10-4-2-1-3-5-10)12(15)14-6-7-18(16,17)9-14/h1-5,11H,6-9,13H2
InChIKeyPNHREHVWIJCXSK-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.23
Rot. Bonds3

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

2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one (PubChem CID 22610276) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one
PubChem CID22610276
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O3S/c13-11(8-10-4-2-1-3-5-10)12(15)14-6-7-18(16,17)9-14/h1-5,11H,6-9,13H2
InChIKeyPNHREHVWIJCXSK-UHFFFAOYSA-N
XLogP-0.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107023213
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
CID 4040755
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 69184928
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one (CID 22610276) is 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)N1CCS(=O)(=O)C1.
What is the InChIKey of 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one?
The InChIKey is PNHREHVWIJCXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-11(8-10-4-2-1-3-5-10)12(15)14-6-7-18(16,17)9-14/h1-5,11H,6-9,13H2.
What are the key properties of 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one?
2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one has a molecular weight of 268.34 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,1-dioxo-1,3-thiazolidin-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 22610276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).