1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)

C20H32I3N4O12S4VY2-4 — CID 160587589

IUPAC1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)
SMILESCCC(CSOOO)N[C-]=O.CCC(CSOOO)N[C-]=O.CN1C(=O)C=CC1=O.CN1C(=O)CC([S-])C1=O.I[V](I)I.[SH-].[Y].[Y]
InChIInChI=1S/2C5H10NO4S.C5H7NO2S.C5H5NO2.3HI.H2S.V.2Y/c2*1-2-5(6-4-7)3-11-10-9-8;1-6-4(7)2-3(9)5(6)8;1-6-4(7)2-3-5(6)8;;;;;;;/h2*5,8H,2-3H2,1H3,(H,6,7);3,9H,2H2,1H3;2-3H,1H3;3*1H;1H2;;;/q2*-1;;;;;;;+3;;/p-5
InChIKeyVHKGMOVYJHWLMC-UHFFFAOYSA-I
MW1258.23 g/mol
LogP2.19
Rot. Bonds14

About 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)

1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium) (PubChem CID 160587589) has the molecular formula C20H32I3N4O12S4VY2-4 and a molecular weight of 1258.23 g/mol. Its IUPAC name is 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium).

Molecular Properties

Compound Name1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)
PubChem CID160587589
Molecular FormulaC20H32I3N4O12S4VY2-4
Molecular Weight1258.23 g/mol
Exact Mass1257.56
IUPAC Name1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)
SMILESCCC(CSOOO)N[C-]=O.CCC(CSOOO)N[C-]=O.CN1C(=O)C=CC1=O.CN1C(=O)CC([S-])C1=O.I[V](I)I.[SH-].[Y].[Y]
InChIInChI=1S/2C5H10NO4S.C5H7NO2S.C5H5NO2.3HI.H2S.V.2Y/c2*1-2-5(6-4-7)3-11-10-9-8;1-6-4(7)2-3(9)5(6)8;1-6-4(7)2-3-5(6)8;;;;;;;/h2*5,8H,2-3H2,1H3,(H,6,7);3,9H,2H2,1H3;2-3H,1H3;3*1H;1H2;;;/q2*-1;;;;;;;+3;;/p-5
InChIKeyVHKGMOVYJHWLMC-UHFFFAOYSA-I
XLogP2.19
TPSA210.34 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.23
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)?
The IUPAC name of 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium) (CID 160587589) is 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium).
What is the SMILES notation for 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)?
The canonical SMILES for 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium) is CCC(CSOOO)N[C-]=O.CCC(CSOOO)N[C-]=O.CN1C(=O)C=CC1=O.CN1C(=O)CC([S-])C1=O.I[V](I)I.[SH-].[Y].[Y].
What is the InChIKey of 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)?
The InChIKey is VHKGMOVYJHWLMC-UHFFFAOYSA-I. The full InChI is InChI=1S/2C5H10NO4S.C5H7NO2S.C5H5NO2.3HI.H2S.V.2Y/c2*1-2-5(6-4-7)3-11-10-9-8;1-6-4(7)2-3(9)5(6)8;1-6-4(7)2-3-5(6)8;;;;;;;/h2*5,8H,2-3H2,1H3,(H,6,7);3,9H,2H2,1H3;2-3H,1H3;3*1H;1H2;;;/q2*-1;;;;;;;+3;;/p-5.
What are the key properties of 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium)?
1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium) has a molecular weight of 1258.23 g/mol, XLogP of 2.19, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dioxopyrrolidine-3-thiolate;1-methylpyrrole-2,5-dione;sulfanide;triiodovanadium;bis([1-(trioxidanylsulfanyl)butan-2-ylamino]methanone);bis(yttrium) is sourced from PubChem (CID 160587589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).