1-(2-phenylsulfanylacetyl)pyrazolidin-3-one

C11H12N2O2S — CID 1487862

IUPAC1-(2-phenylsulfanylacetyl)pyrazolidin-3-one
SMILESO=C1CCN(C(=O)CSc2ccccc2)N1
InChIInChI=1S/C11H12N2O2S/c14-10-6-7-13(12-10)11(15)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14)
InChIKeyUNVHGSAHRIPJEL-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one

1-(2-phenylsulfanylacetyl)pyrazolidin-3-one (PubChem CID 1487862) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(2-phenylsulfanylacetyl)pyrazolidin-3-one
PubChem CID1487862
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(2-phenylsulfanylacetyl)pyrazolidin-3-one
SMILESO=C1CCN(C(=O)CSc2ccccc2)N1
InChIInChI=1S/C11H12N2O2S/c14-10-6-7-13(12-10)11(15)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14)
InChIKeyUNVHGSAHRIPJEL-UHFFFAOYSA-N
XLogP1.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 63909611
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
[2-oxo-2-(3-oxopyrazolidin-1-yl)ethyl] morpholine-4-carbodithioate
CID 3849867
7-(2-phenylsulfanylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996449
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
potassium 2-phenylsulfanylacetate
CID 23690750
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
2-[1-(2-phenylsulfanylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371865

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one?
The IUPAC name of 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one (CID 1487862) is 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one?
The canonical SMILES for 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one is O=C1CCN(C(=O)CSc2ccccc2)N1.
What is the InChIKey of 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one?
The InChIKey is UNVHGSAHRIPJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10-6-7-13(12-10)11(15)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14).
What are the key properties of 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one?
1-(2-phenylsulfanylacetyl)pyrazolidin-3-one has a molecular weight of 236.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylacetyl)pyrazolidin-3-one is sourced from PubChem (CID 1487862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).