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

C5H8N2O2S — CID 10103426

IUPAC(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CS)NC(=O)NC1=O
InChIInChI=1S/C5H8N2O2S/c1-5(2-10)3(8)6-4(9)7-5/h10H,2H2,1H3,(H2,6,7,8,9)/t5-/m0/s1
InChIKeyCXLDFWBKUZZCPT-YFKPBYRVSA-N
MW160.20 g/mol
LogP-0.49
Rot. Bonds1

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

(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 10103426) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID10103426
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CS)NC(=O)NC1=O
InChIInChI=1S/C5H8N2O2S/c1-5(2-10)3(8)6-4(9)7-5/h10H,2H2,1H3,(H2,6,7,8,9)/t5-/m0/s1
InChIKeyCXLDFWBKUZZCPT-YFKPBYRVSA-N
XLogP-0.49
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.49
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-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 10103426) is (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is C[C@@]1(CS)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is CXLDFWBKUZZCPT-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-5(2-10)3(8)6-4(9)7-5/h10H,2H2,1H3,(H2,6,7,8,9)/t5-/m0/s1.
What are the key properties of (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
(5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 160.20 g/mol, XLogP of -0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10103426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).