(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate

C12H19NO5S2 — CID 58371253

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate
SMILES[3H]CCCCCSSCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19NO5S2/c1-2-3-4-8-19-20-9-7-17-12(16)18-13-10(14)5-6-11(13)15/h2-9H2,1H3/i1T
InChIKeyMZGMVLHSSLADDI-CNRUNOGKSA-N
MW323.43 g/mol
LogP2.78
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate

(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate (PubChem CID 58371253) has the molecular formula C12H19NO5S2 and a molecular weight of 323.43 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate
PubChem CID58371253
Molecular FormulaC12H19NO5S2
Molecular Weight323.43 g/mol
Exact Mass323.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate
SMILES[3H]CCCCCSSCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H19NO5S2/c1-2-3-4-8-19-20-9-7-17-12(16)18-13-10(14)5-6-11(13)15/h2-9H2,1H3/i1T
InChIKeyMZGMVLHSSLADDI-CNRUNOGKSA-N
XLogP2.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(methanidylamino)ethyldisulfanyl]ethyl carbonate;meitnerium
CID 58371256
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
CID 175366998
(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
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethylsulfinyl]ethyl carbonate
CID 175094231
2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 2-methylprop-2-enoate
CID 102051298
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate
CID 143261786
2-cyanoethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 10632308
(2,5-dioxopyrrolidin-1-yl) 4-(4-hydroxybutyldisulfanyl)butanoate
CID 166945532

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate (CID 58371253) is (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate is [3H]CCCCCSSCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate?
The InChIKey is MZGMVLHSSLADDI-CNRUNOGKSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-2-3-4-8-19-20-9-7-17-12(16)18-13-10(14)5-6-11(13)15/h2-9H2,1H3/i1T.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate has a molecular weight of 323.43 g/mol, XLogP of 2.78, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate is sourced from PubChem (CID 58371253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).