(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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Related Compounds

3-(2-aminoethyl)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 82147808
(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 33083226
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-(oxolan-2-ylmethyl)piperazine-2,6-dione
CID 64982518
(5S)-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 40875043
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
9-(3-methylsulfanylpropyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72918622
(3aR,7aR)-2-[[(2R)-oxolan-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7127018
(1S,3R,3aR,6aS)-7'-chloro-1-(2-methylsulfanylethyl)-5-[[(2R)-oxolan-2-yl]methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 124783629
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylideneimidazolidin-4-one
CID 7026051
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456

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).