1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine

C80H103N6O12S4- — CID 160707812

IUPAC1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine
SMILESCCCCCN.CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O.CCCS.CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O
InChIInChI=1S/C22H22S.C21H21NS.C15H24N2O3.C14H16N2O9S.C5H13N.C3H8S/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2-3-6-11-16-13(18)8-5-4-7-12-17-14(19)9-10-15(17)20;17-10-5-6-11(18)15(10)7-3-1-2-4-13(20)25-16-12(19)8-9(14(16)21)26(22,23)24;1-2-3-4-5-6;1-2-3-4/h3-17H,2,18H2,1H3;1-15H,16-17,22H2;9-10H,2-8,11-12H2,1H3,(H,16,18);5-6,9H,1-4,7-8H2,(H,22,23,24);2-6H2,1H3;4H,2-3H2,1H3/p-1
InChIKeyRRLNZNMXCCNZIY-UHFFFAOYSA-M
MW1469.00 g/mol
LogP13.63
Rot. Bonds34

About 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine

1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine (PubChem CID 160707812) has the molecular formula C80H103N6O12S4- and a molecular weight of 1469.00 g/mol. Its IUPAC name is 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine.

Molecular Properties

Compound Name1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine
PubChem CID160707812
Molecular FormulaC80H103N6O12S4-
Molecular Weight1469.00 g/mol
Exact Mass1467.65
IUPAC Name1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine
SMILESCCCCCN.CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O.CCCS.CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O
InChIInChI=1S/C22H22S.C21H21NS.C15H24N2O3.C14H16N2O9S.C5H13N.C3H8S/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2-3-6-11-16-13(18)8-5-4-7-12-17-14(19)9-10-15(17)20;17-10-5-6-11(18)15(10)7-3-1-2-4-13(20)25-16-12(19)8-9(14(16)21)26(22,23)24;1-2-3-4-5-6;1-2-3-4/h3-17H,2,18H2,1H3;1-15H,16-17,22H2;9-10H,2-8,11-12H2,1H3,(H,16,18);5-6,9H,1-4,7-8H2,(H,22,23,24);2-6H2,1H3;4H,2-3H2,1H3/p-1
InChIKeyRRLNZNMXCCNZIY-UHFFFAOYSA-M
XLogP13.63
TPSA276.78 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.00
LogP ≤ 513.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine with MolForge

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Related Compounds

sodium 2,5-dioxo-1-[6-oxo-6-[[2-oxo-2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethyl]amino]hexanoyl]oxypyrrolidine-3-sulfonate
CID 23669820
sodium 1-octadec-9-enoyloxy-2,5-dioxopyrrolidine-3-sulfonate
CID 53442213
[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2,5-dioxopyrrolidin-1-yl] 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 165024040
sodium;(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate;1-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 165073312
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
sodium 1-[6-[6-[5-(2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 24899065
1-[4-(2,5-dioxopyrrolidin-1-yl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
CID 58592352
2,5-dioxo-1-[8-oxo-10-(pyridin-2-yldisulfanyl)decanoyl]oxypyrrolidine-3-sulfonate
CID 58066964
6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol
CID 54178029
sodium 2,5-dioxo-1-(3-phenylpropanoyloxy)pyrrolidine-3-sulfonate
CID 102472680
CID 171042206
CID 171042206
sodium 1-[12-(2,5-dioxopyrrol-1-yl)-2-oxododecyl]-2,5-dioxopyrrolidine-3-sulfonate
CID 163199615

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine?
The IUPAC name of 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine (CID 160707812) is 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine.
What is the SMILES notation for 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine?
The canonical SMILES for 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine is CCCCCN.CCCCCNC(=O)CCCCCN1C(=O)C=CC1=O.CCCS.CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CC(S(=O)(=O)[O-])C1=O.
What is the InChIKey of 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine?
The InChIKey is RRLNZNMXCCNZIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22S.C21H21NS.C15H24N2O3.C14H16N2O9S.C5H13N.C3H8S/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;1-2-3-6-11-16-13(18)8-5-4-7-12-17-14(19)9-10-15(17)20;17-10-5-6-11(18)15(10)7-3-1-2-4-13(20)25-16-12(19)8-9(14(16)21)26(22,23)24;1-2-3-4-5-6;1-2-3-4/h3-17H,2,18H2,1H3;1-15H,16-17,22H2;9-10H,2-8,11-12H2,1H3,(H,16,18);5-6,9H,1-4,7-8H2,(H,22,23,24);2-6H2,1H3;4H,2-3H2,1H3/p-1.
What are the key properties of 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine?
1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine has a molecular weight of 1469.00 g/mol, XLogP of 13.63, 34 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate;6-(2,5-dioxopyrrol-1-yl)-N-pentylhexanamide;[diphenyl(propylsulfanyl)methyl]benzene;pentan-1-amine;propane-1-thiol;2-tritylsulfanylethanamine is sourced from PubChem (CID 160707812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).