(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

C8H8N2O2S2 — CID 102323014

IUPAC(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](CS)C(=O)N1c1ccsc1
InChIInChI=1S/C8H8N2O2S2/c11-7-6(3-13)9-8(12)10(7)5-1-2-14-4-5/h1-2,4,6,13H,3H2,(H,9,12)/t6-/m0/s1
InChIKeyFISMGEROVXCEPA-LURJTMIESA-N
MW228.30 g/mol
LogP1.10
Rot. Bonds2

About (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione

(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323014) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323014
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC Name(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@H](CS)C(=O)N1c1ccsc1
InChIInChI=1S/C8H8N2O2S2/c11-7-6(3-13)9-8(12)10(7)5-1-2-14-4-5/h1-2,4,6,13H,3H2,(H,9,12)/t6-/m0/s1
InChIKeyFISMGEROVXCEPA-LURJTMIESA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323014) is (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is O=C1N[C@@H](CS)C(=O)N1c1ccsc1.
What is the InChIKey of (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is FISMGEROVXCEPA-LURJTMIESA-N. The full InChI is InChI=1S/C8H8N2O2S2/c11-7-6(3-13)9-8(12)10(7)5-1-2-14-4-5/h1-2,4,6,13H,3H2,(H,9,12)/t6-/m0/s1.
What are the key properties of (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione?
(5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 228.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(sulfanylmethyl)-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).