(2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium

C10H15MtN2O5S2- — CID 58371256

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium
SMILES[CH2-]NCCSSCCOC(=O)ON1C(=O)CCC1=O.[Mt]
InChIInChI=1S/C10H15N2O5S2.Mt/c1-11-4-6-18-19-7-5-16-10(15)17-12-8(13)2-3-9(12)14;/h11H,1-7H2;/q-1;
InChIKeyUESFPJCXXOBZOB-UHFFFAOYSA-N
MW585.37 g/mol
LogP0.97
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium

(2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium (PubChem CID 58371256) has the molecular formula C10H15MtN2O5S2- and a molecular weight of 585.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium
PubChem CID58371256
Molecular FormulaC10H15MtN2O5S2-
Molecular Weight585.37 g/mol
Exact Mass585.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium
SMILES[CH2-]NCCSSCCOC(=O)ON1C(=O)CCC1=O.[Mt]
InChIInChI=1S/C10H15N2O5S2.Mt/c1-11-4-6-18-19-7-5-16-10(15)17-12-8(13)2-3-9(12)14;/h11H,1-7H2;/q-1;
InChIKeyUESFPJCXXOBZOB-UHFFFAOYSA-N
XLogP0.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate
CID 58371253
(2,5-dioxopyrrolidin-1-yl) 2-(2-trityloxyethyldisulfanyl)ethyl carbonate
CID 58608043
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
(2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]ethyl carbonate
CID 88741916
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) 2-isocyanoethyl carbonate;2-isocyanoethanol;methane
CID 159148402
(2,5-dioxopyrrolidin-1-yl) 2-phenylethyl carbonate
CID 15927737

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium (CID 58371256) is (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium is [CH2-]NCCSSCCOC(=O)ON1C(=O)CCC1=O.[Mt].
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium?
The InChIKey is UESFPJCXXOBZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O5S2.Mt/c1-11-4-6-18-19-7-5-16-10(15)17-12-8(13)2-3-9(12)14;/h11H,1-7H2;/q-1;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium?
(2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium has a molecular weight of 585.37 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium is sourced from PubChem (CID 58371256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).