(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

C12H14N2O2S — CID 142664147

IUPAC(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1C(=O)NC(=O)N1CSCc1ccccc1
InChIInChI=1S/C12H14N2O2S/c1-9-11(15)13-12(16)14(9)8-17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,15,16)/t9-/m1/s1
InChIKeyZHXQWOLCVHZCBC-SECBINFHSA-N
MW250.32 g/mol
LogP1.82
Rot. Bonds4

About (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 142664147) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID142664147
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1C(=O)NC(=O)N1CSCc1ccccc1
InChIInChI=1S/C12H14N2O2S/c1-9-11(15)13-12(16)14(9)8-17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,15,16)/t9-/m1/s1
InChIKeyZHXQWOLCVHZCBC-SECBINFHSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione (CID 142664147) is (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is C[C@@H]1C(=O)NC(=O)N1CSCc1ccccc1.
What is the InChIKey of (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ZHXQWOLCVHZCBC-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-11(15)13-12(16)14(9)8-17-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,15,16)/t9-/m1/s1.
What are the key properties of (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione?
(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 250.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 142664147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).