(5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione

C4H6N2O2S — CID 40534384

IUPAC(5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CS)N1
InChIInChI=1S/C4H6N2O2S/c7-3-2(1-9)5-4(8)6-3/h2,9H,1H2,(H2,5,6,7,8)/t2-/m0/s1
InChIKeyOTZNOKBPJBCNJO-REOHCLBHSA-N
MW146.17 g/mol
LogP-0.88
Rot. Bonds1

About (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione

(5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 40534384) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID40534384
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name(5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CS)N1
InChIInChI=1S/C4H6N2O2S/c7-3-2(1-9)5-4(8)6-3/h2,9H,1H2,(H2,5,6,7,8)/t2-/m0/s1
InChIKeyOTZNOKBPJBCNJO-REOHCLBHSA-N
XLogP-0.88
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 40534384) is (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CS)N1.
What is the InChIKey of (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is OTZNOKBPJBCNJO-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6N2O2S/c7-3-2(1-9)5-4(8)6-3/h2,9H,1H2,(H2,5,6,7,8)/t2-/m0/s1.
What are the key properties of (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione?
(5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 146.17 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40534384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).