(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

C12H14N2O2S — CID 24751889

IUPAC(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CSCc2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)/t12-/m1/s1
InChIKeyQDXMWEMIYNOVGF-GFCCVEGCSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds4

About (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 24751889) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID24751889
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CSCc2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)/t12-/m1/s1
InChIKeyQDXMWEMIYNOVGF-GFCCVEGCSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (CID 24751889) is (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is C[C@]1(CSCc2ccccc2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is QDXMWEMIYNOVGF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)/t12-/m1/s1.
What are the key properties of (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 250.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).