1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)

C15H28N2O8S2 — CID 22754387

IUPAC1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)
SMILESCC1(C)C(=O)N(CCO)C(=O)N1CCO.O=C(O)CCS.O=C(O)CCS
InChIInChI=1S/C9H16N2O4.2C3H6O2S/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13;2*4-3(5)1-2-6/h12-13H,3-6H2,1-2H3;2*6H,1-2H2,(H,4,5)
InChIKeyFOIPVGOOCQJFIP-UHFFFAOYSA-N
MW428.53 g/mol
LogP-0.20
Rot. Bonds8

About 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)

1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid) (PubChem CID 22754387) has the molecular formula C15H28N2O8S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid).

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)
PubChem CID22754387
Molecular FormulaC15H28N2O8S2
Molecular Weight428.53 g/mol
Exact Mass428.13
IUPAC Name1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)
SMILESCC1(C)C(=O)N(CCO)C(=O)N1CCO.O=C(O)CCS.O=C(O)CCS
InChIInChI=1S/C9H16N2O4.2C3H6O2S/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13;2*4-3(5)1-2-6/h12-13H,3-6H2,1-2H3;2*6H,1-2H2,(H,4,5)
InChIKeyFOIPVGOOCQJFIP-UHFFFAOYSA-N
XLogP-0.20
TPSA155.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 5-0.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid) with MolForge

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Related Compounds

5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
CID 21324143
butan-1-ol;bis(3-sulfanylpropanoic acid)
CID 175949702
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
CID 54162897
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
(Z)-3-amino-N-[3-[3-[3-[[(Z)-3-aminobut-2-enoyl]amino]propyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propyl]but-2-enamide
CID 70503793
2-[3-[2-acetyloxy-2,2-bis(sulfanyl)ethyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]ethyl acetate
CID 88796955
manganese;3-sulfanylpropanoic acid;zinc
CID 161292354
6-[3-(carboxymethyl)-3-hydroxy-2,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 171379695
bis((hydroxymethyldisulfanyl)methanol);bis(2-sulfanylacetic acid);bis(3-sulfanylpropanoic acid)
CID 158380146
3-[3-(2-hydroxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanoic acid
CID 147847037
2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
CID 54221869

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid) (CID 22754387) is 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid).
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid) is CC1(C)C(=O)N(CCO)C(=O)N1CCO.O=C(O)CCS.O=C(O)CCS.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)?
The InChIKey is FOIPVGOOCQJFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4.2C3H6O2S/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13;2*4-3(5)1-2-6/h12-13H,3-6H2,1-2H3;2*6H,1-2H2,(H,4,5).
What are the key properties of 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid)?
1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid) has a molecular weight of 428.53 g/mol, XLogP of -0.20, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione;bis(3-sulfanylpropanoic acid) is sourced from PubChem (CID 22754387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).