(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione

C11H18N2O3S — CID 7619116

IUPAC(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
SMILESCSCC[C@@H]1NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C11H18N2O3S/c1-17-6-4-9-10(14)13(11(15)12-9)7-8-3-2-5-16-8/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+/m1/s1
InChIKeyUQBZXNQCLQNVGE-BDAKNGLRSA-N
MW258.34 g/mol
LogP0.84
Rot. Bonds5

About (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione

(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 7619116) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID7619116
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
SMILESCSCC[C@@H]1NC(=O)N(C[C@H]2CCCO2)C1=O
InChIInChI=1S/C11H18N2O3S/c1-17-6-4-9-10(14)13(11(15)12-9)7-8-3-2-5-16-8/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+/m1/s1
InChIKeyUQBZXNQCLQNVGE-BDAKNGLRSA-N
XLogP0.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione (CID 7619116) is (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione is CSCC[C@@H]1NC(=O)N(C[C@H]2CCCO2)C1=O.
What is the InChIKey of (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is UQBZXNQCLQNVGE-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-17-6-4-9-10(14)13(11(15)12-9)7-8-3-2-5-16-8/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9+/m1/s1.
What are the key properties of (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione?
(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 258.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7619116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).