(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione

C11H20N2O2S — CID 69117537

IUPAC(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCSC[C@]1(C)C(=O)NC(=O)N1CC(C)C
InChIInChI=1S/C11H20N2O2S/c1-5-16-7-11(4)9(14)12-10(15)13(11)6-8(2)3/h8H,5-7H2,1-4H3,(H,12,14,15)/t11-/m1/s1
InChIKeyOMJSFAZEMYDYBF-LLVKDONJSA-N
MW244.36 g/mol
LogP1.71
Rot. Bonds5

About (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 69117537) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID69117537
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCCSC[C@]1(C)C(=O)NC(=O)N1CC(C)C
InChIInChI=1S/C11H20N2O2S/c1-5-16-7-11(4)9(14)12-10(15)13(11)6-8(2)3/h8H,5-7H2,1-4H3,(H,12,14,15)/t11-/m1/s1
InChIKeyOMJSFAZEMYDYBF-LLVKDONJSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.71
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 (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione (CID 69117537) is (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione is CCSC[C@]1(C)C(=O)NC(=O)N1CC(C)C.
What is the InChIKey of (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is OMJSFAZEMYDYBF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-5-16-7-11(4)9(14)12-10(15)13(11)6-8(2)3/h8H,5-7H2,1-4H3,(H,12,14,15)/t11-/m1/s1.
What are the key properties of (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 244.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(ethylsulfanylmethyl)-5-methyl-1-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69117537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).