3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one

C11H12N2OS — CID 7026092

IUPAC3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
SMILESC[C@H](c1ccccc1)N1C(=O)CNC1=S
InChIInChI=1S/C11H12N2OS/c1-8(9-5-3-2-4-6-9)13-10(14)7-12-11(13)15/h2-6,8H,7H2,1H3,(H,12,15)/t8-/m1/s1
InChIKeyNHVXKWOZASEKOR-MRVPVSSYSA-N
MW220.30 g/mol
LogP1.46
Rot. Bonds2

About 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one

3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 7026092) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID7026092
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
SMILESC[C@H](c1ccccc1)N1C(=O)CNC1=S
InChIInChI=1S/C11H12N2OS/c1-8(9-5-3-2-4-6-9)13-10(14)7-12-11(13)15/h2-6,8H,7H2,1H3,(H,12,15)/t8-/m1/s1
InChIKeyNHVXKWOZASEKOR-MRVPVSSYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-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

3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 3029673
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
(5Z)-5-ethylidene-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 15373975
3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione
CID 107841916
5-methylidene-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 134376936
1-(2-phenylpropyl)piperazine-2,5-dione
CID 113430277
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
2,6-bis[(1S)-1-phenylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1226046
6-[(1S)-1-phenylethyl]benzo[d][2]benzazepine-5,7-dione
CID 12914074
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one (CID 7026092) is 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one is C[C@H](c1ccccc1)N1C(=O)CNC1=S.
What is the InChIKey of 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NHVXKWOZASEKOR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8(9-5-3-2-4-6-9)13-10(14)7-12-11(13)15/h2-6,8H,7H2,1H3,(H,12,15)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one?
3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 7026092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).