(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one

C12H16N2O2S — CID 155543779

IUPAC(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one
SMILESCS(=O)CCN1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2O2S/c1-17(16)8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-,17?/m1/s1
InChIKeyZMMMQJYDAACFRG-VCQTYVLVSA-N
MW252.34 g/mol
LogP1.13
Rot. Bonds4

About (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one

(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one (PubChem CID 155543779) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one
PubChem CID155543779
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one
SMILESCS(=O)CCN1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C12H16N2O2S/c1-17(16)8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-,17?/m1/s1
InChIKeyZMMMQJYDAACFRG-VCQTYVLVSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
4-Phenylimidazolidin-2-one
CID 322644
[2-[[2-(Dimethylamino)-2-phenylethyl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 16312302
2-(1,4-dioxo-2-phenyl-1,3-thiazolidin-3-yl)-N-octadecylacetamide
CID 10006337
2-Imidazolidinone, 5-phenyl-1-(phenylmethyl)-
CID 53050
N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide
CID 10243204
1-Methyl-4-phenylimidazolidin-2-one
CID 44370699
Ompi
CID 135446
US10793556, Example SC_4010
CID 130202904
2-Imidazolidinone, 1-(2-methylpropyl)-5-phenyl-
CID 57451
2-Imidazolidinone, 1-methyl-5-(4-methylphenyl)-
CID 57453
2-Imidazolidinone, 5-phenyl-1-propyl-
CID 57458

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one?
The IUPAC name of (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one (CID 155543779) is (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one is CS(=O)CCN1C[C@H](c2ccccc2)NC1=O.
What is the InChIKey of (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one?
The InChIKey is ZMMMQJYDAACFRG-VCQTYVLVSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-17(16)8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)/t11-,17?/m1/s1.
What are the key properties of (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one?
(4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methylsulfinylethyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 155543779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).