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

C11H12N2OS — CID 7129188

IUPAC(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O
InChIInChI=1S/C11H12N2OS/c1-8-10(14)13(11(15)12-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyCGSCAUMDHKDVJR-QMMMGPOBSA-N
MW220.30 g/mol
LogP1.29
Rot. Bonds2

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

(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 7129188) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID7129188
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one
SMILESC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O
InChIInChI=1S/C11H12N2OS/c1-8-10(14)13(11(15)12-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyCGSCAUMDHKDVJR-QMMMGPOBSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 17394339
(5R)-3-(2,2-diphenylethyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 26684421
3-benzyl-5-(1-hydroxyethyl)-2-sulfanylideneimidazolidin-4-one
CID 3619280
2-[[(4S)-1-benzyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]methylsulfanyl]acetic acid
CID 739266
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
(5S)-3-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 94744468
3-benzyl-7-methyl-2-sulfanylidene-4a,5,6,7,8,9a-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 78204427
(5S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 34754535
1-benzyl-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 86189185
(5R)-3-[(2-cyclohexyloxy-4-pyridinyl)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 95271953
N,4-dibenzyl-6-tert-butyl-2-methyl-3-oxo-1,2-dihydropyrazine-5-carboxamide
CID 78152352

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one (CID 7129188) is (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one is C[C@@H]1NC(=S)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is CGSCAUMDHKDVJR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-10(14)13(11(15)12-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one?
(5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 7129188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).