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

C13H21N3O4S — CID 33083226

IUPAC(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCC[C@@H]1NC(=O)N(CC(=O)N2CCO[C@H](C)C2)C1=O
InChIInChI=1S/C13H21N3O4S/c1-9-7-15(4-5-20-9)11(17)8-16-12(18)10(3-6-21-2)14-13(16)19/h9-10H,3-8H2,1-2H3,(H,14,19)/t9-,10+/m1/s1
InChIKeyHPJYCGBSEJOSCH-ZJUUUORDSA-N
MW315.40 g/mol
LogP-0.09
Rot. Bonds5

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

(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 33083226) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID33083226
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCC[C@@H]1NC(=O)N(CC(=O)N2CCO[C@H](C)C2)C1=O
InChIInChI=1S/C13H21N3O4S/c1-9-7-15(4-5-20-9)11(17)8-16-12(18)10(3-6-21-2)14-13(16)19/h9-10H,3-8H2,1-2H3,(H,14,19)/t9-,10+/m1/s1
InChIKeyHPJYCGBSEJOSCH-ZJUUUORDSA-N
XLogP-0.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2-methylsulfanylethyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazolidine-2,4-dione
CID 7619116
2-[(4S)-4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2412287
(5R)-5-(2-methylsulfanylethyl)-3-[2-oxo-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]imidazolidine-2,4-dione
CID 124856952
(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 37134490
4-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 47134765
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 24577980
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148278
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 46675649

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 33083226) is (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCC[C@@H]1NC(=O)N(CC(=O)N2CCO[C@H](C)C2)C1=O.
What is the InChIKey of (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is HPJYCGBSEJOSCH-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-7-15(4-5-20-9)11(17)8-16-12(18)10(3-6-21-2)14-13(16)19/h9-10H,3-8H2,1-2H3,(H,14,19)/t9-,10+/m1/s1.
What are the key properties of (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 315.40 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 33083226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).