3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione

C14H17N3O2S — CID 102029363

IUPAC3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CN2CCSCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-13-12(10-16-6-8-20-9-7-16)15-14(19)17(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,19)
InChIKeySODCKWMDWQGZHY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.16
Rot. Bonds3

About 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione

3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 102029363) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID102029363
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CN2CCSCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-13-12(10-16-6-8-20-9-7-16)15-14(19)17(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,19)
InChIKeySODCKWMDWQGZHY-UHFFFAOYSA-N
XLogP1.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.16
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

(5R)-5-[[[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]methyldisulfanyl]methyl]-3-phenylimidazolidine-2,4-dione
CID 92538299
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
CID 124854382
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
(4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 91738144
5-(2-bromophenyl)-3-phenylimidazolidine-2,4-dione
CID 142772512
(4aR,7aS)-3-phenyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidine-2,4-dione
CID 14666787
4-phenyl-3-(thiomorpholin-4-ylmethyl)-1H-1,2,4-triazol-5-one
CID 139238180
2-[(4R)-2,5-dioxo-1-pyridin-3-ylimidazolidin-4-yl]acetic acid
CID 124848217
(5S)-5-(thiomorpholin-4-ylmethyl)pyrrolidin-2-one
CID 67157930
(5S)-5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
CID 110206010

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione (CID 102029363) is 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione is O=C1NC(CN2CCSCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is SODCKWMDWQGZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-13-12(10-16-6-8-20-9-7-16)15-14(19)17(13)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,19).
What are the key properties of 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione?
3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 291.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(thiomorpholin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 102029363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).