(2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate

C19H23F9N2O5S2 — CID 11365376

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate
SMILESO=C(CCSSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H23F9N2O5S2/c20-16(21,17(22,23)18(24,25)19(26,27)28)8-11-37-36-10-7-12(31)29-9-3-1-2-4-15(34)35-30-13(32)5-6-14(30)33/h1-11H2,(H,29,31)
InChIKeyGQWFCOSKUVVYMM-UHFFFAOYSA-N
MW594.52 g/mol
LogP4.90
Rot. Bonds16

About (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate (PubChem CID 11365376) has the molecular formula C19H23F9N2O5S2 and a molecular weight of 594.52 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate
PubChem CID11365376
Molecular FormulaC19H23F9N2O5S2
Molecular Weight594.52 g/mol
Exact Mass594.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate
SMILESO=C(CCSSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H23F9N2O5S2/c20-16(21,17(22,23)18(24,25)19(26,27)28)8-11-37-36-10-7-12(31)29-9-3-1-2-4-15(34)35-30-13(32)5-6-14(30)33/h1-11H2,(H,29,31)
InChIKeyGQWFCOSKUVVYMM-UHFFFAOYSA-N
XLogP4.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440512
(2,5-dioxopyrrolidin-1-yl) 8-[3-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoate
CID 118440608
(2,5-dioxopyrrolidin-1-yl) 16-(dithiolane-4-carbonylamino)hexadecanoate
CID 169187635
(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
CID 102112426
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[2-[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methyl-3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440292
(2,5-dioxopyrrolidin-1-yl) 6-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]hexanoate
CID 101206729
(2,5-dioxopyrrolidin-1-yl) 6-[3-[dimethyl(silyloxy)silyl]propylamino]-6-oxohexanoate
CID 163761392
(2,5-dioxopyrrolidin-1-yl) 6-[[4-acetamido-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]hexanoate
CID 89119031
(2,5-dioxopyrrolidin-1-yl) 6-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexanoate
CID 87561673

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate (CID 11365376) is (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate is O=C(CCSSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate?
The InChIKey is GQWFCOSKUVVYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F9N2O5S2/c20-16(21,17(22,23)18(24,25)19(26,27)28)8-11-37-36-10-7-12(31)29-9-3-1-2-4-15(34)35-30-13(32)5-6-14(30)33/h1-11H2,(H,29,31).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate has a molecular weight of 594.52 g/mol, XLogP of 4.90, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexyldisulfanyl)propanoylamino]hexanoate is sourced from PubChem (CID 11365376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).