3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one

C8H12N2O2S — CID 7026051

IUPAC3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1C[C@@H]1CCCO1
InChIInChI=1S/C8H12N2O2S/c11-7-4-9-8(13)10(7)5-6-2-1-3-12-6/h6H,1-5H2,(H,9,13)/t6-/m0/s1
InChIKeyXSNMYHHIRQHEQT-LURJTMIESA-N
MW200.26 g/mol
LogP-0.12
Rot. Bonds2

About 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one

3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 7026051) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID7026051
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1C[C@@H]1CCCO1
InChIInChI=1S/C8H12N2O2S/c11-7-4-9-8(13)10(7)5-6-2-1-3-12-6/h6H,1-5H2,(H,9,13)/t6-/m0/s1
InChIKeyXSNMYHHIRQHEQT-LURJTMIESA-N
XLogP-0.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.12
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

3-(oxan-2-ylmethyl)imidazolidine-2,4-dione
CID 103601172
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-[2-(oxolan-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65166169
3-[[(2S)-pyrrolidin-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 53381836
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
(5E)-3-(oxolan-2-ylmethyl)-5-pentylidene-2-sulfanylideneimidazolidin-4-one
CID 19546284
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
1-(oxolan-2-ylmethyl)-1,5-diazocan-2-one
CID 117014385
(5E)-5-[(4-methylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 19546133
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one (CID 7026051) is 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1C[C@@H]1CCCO1.
What is the InChIKey of 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XSNMYHHIRQHEQT-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7-4-9-8(13)10(7)5-6-2-1-3-12-6/h6H,1-5H2,(H,9,13)/t6-/m0/s1.
What are the key properties of 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one?
3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 200.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 7026051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).