(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

C11H12N2O2S — CID 7129164

IUPAC(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)[C@H](C)NC2=S)cc1
InChIInChI=1S/C11H12N2O2S/c1-7-10(14)13(11(16)12-7)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H,12,16)/t7-/m0/s1
InChIKeyNEDIULYIOXJRFI-ZETCQYMHSA-N
MW236.30 g/mol
LogP1.30
Rot. Bonds2

About (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one

(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 7129164) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID7129164
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(N2C(=O)[C@H](C)NC2=S)cc1
InChIInChI=1S/C11H12N2O2S/c1-7-10(14)13(11(16)12-7)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H,12,16)/t7-/m0/s1
InChIKeyNEDIULYIOXJRFI-ZETCQYMHSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 4963344
butyl 4-[(4S)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 26684097
(5S)-3-(3,5-dichlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 26684095
3-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4762463
tert-butyl N-[2-methoxy-4-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)phenyl]carbamate
CID 47062144
(5R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 94215541
(1S,5S)-3-(4-methoxyphenyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
CID 23309112
3-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 47062156
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
1-(4-methoxyphenyl)-5-sulfanylidenepyrrol-2-one
CID 11020381

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one (CID 7129164) is (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is COc1ccc(N2C(=O)[C@H](C)NC2=S)cc1.
What is the InChIKey of (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NEDIULYIOXJRFI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-10(14)13(11(16)12-7)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H,12,16)/t7-/m0/s1.
What are the key properties of (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one?
(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 7129164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).