(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione

C14H17N3O4S — CID 124863015

IUPAC(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCSCC1
InChIInChI=1S/C14H17N3O4S/c18-12(16-3-6-22-7-4-16)8-11-13(19)17(14(20)15-11)9-10-2-1-5-21-10/h1-2,5,11H,3-4,6-9H2,(H,15,20)/t11-/m1/s1
InChIKeyQDRCSOHRWYNHAR-LLVKDONJSA-N
MW323.37 g/mol
LogP0.67
Rot. Bonds4

About (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione

(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 124863015) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID124863015
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCSCC1
InChIInChI=1S/C14H17N3O4S/c18-12(16-3-6-22-7-4-16)8-11-13(19)17(14(20)15-11)9-10-2-1-5-21-10/h1-2,5,11H,3-4,6-9H2,(H,15,20)/t11-/m1/s1
InChIKeyQDRCSOHRWYNHAR-LLVKDONJSA-N
XLogP0.67
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.67
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

(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639556
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 124862622
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210427
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 126417884
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 126418599
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421450
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)acetamide
CID 110210087

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione (CID 124863015) is (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione is O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCSCC1.
What is the InChIKey of (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is QDRCSOHRWYNHAR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-12(16-3-6-22-7-4-16)8-11-13(19)17(14(20)15-11)9-10-2-1-5-21-10/h1-2,5,11H,3-4,6-9H2,(H,15,20)/t11-/m1/s1.
What are the key properties of (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione?
(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 323.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 124863015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).