2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)

C58H99ClN8O12S8 — CID 158971107

IUPAC2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)
SMILESC/C=C/C(=O)Cl.C/C=C/C(=O)NCCSSCCN.C/C=C/C(=O)NCCSSCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC(C)(C)OC(=O)NCCSSCCN.NCCSSCCN.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C30H46N2O2S2.C9H20N2O2S2.C8H16N2OS2.C4H5ClO.C4H12N2S2.3CO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(34)32-26-28-36-35-27-25-31-29(33)23-4-2;1-9(2,3)13-8(12)11-5-7-15-14-6-4-10;1-2-3-8(11)10-5-7-13-12-6-4-9;1-2-3-4(5)6;5-1-3-7-8-4-2-6;3*2-1-3/h4-6,8-9,11-12,14-15,17-18,20-21,23H,3,7,10,13,16,19,22,24-28H2,1-2H3,(H,31,33)(H,32,34);4-7,10H2,1-3H3,(H,11,12);2-3H,4-7,9H2,1H3,(H,10,11);2-3H,1H3;1-6H2;;;/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,23-4+;;2*3-2+;;;;
InChIKeyJNVFUPCTNKOZBS-SUIGCWNFSA-N
MW1392.46 g/mol
LogP10.39
Rot. Bonds41

About 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)

2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide) (PubChem CID 158971107) has the molecular formula C58H99ClN8O12S8 and a molecular weight of 1392.46 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide).

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)
PubChem CID158971107
Molecular FormulaC58H99ClN8O12S8
Molecular Weight1392.46 g/mol
Exact Mass1390.48
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)
SMILESC/C=C/C(=O)Cl.C/C=C/C(=O)NCCSSCCN.C/C=C/C(=O)NCCSSCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC(C)(C)OC(=O)NCCSSCCN.NCCSSCCN.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C30H46N2O2S2.C9H20N2O2S2.C8H16N2OS2.C4H5ClO.C4H12N2S2.3CO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(34)32-26-28-36-35-27-25-31-29(33)23-4-2;1-9(2,3)13-8(12)11-5-7-15-14-6-4-10;1-2-3-8(11)10-5-7-13-12-6-4-9;1-2-3-4(5)6;5-1-3-7-8-4-2-6;3*2-1-3/h4-6,8-9,11-12,14-15,17-18,20-21,23H,3,7,10,13,16,19,22,24-28H2,1-2H3,(H,31,33)(H,32,34);4-7,10H2,1-3H3,(H,11,12);2-3H,4-7,9H2,1H3,(H,10,11);2-3H,1H3;1-6H2;;;/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,23-4+;;2*3-2+;;;;
InChIKeyJNVFUPCTNKOZBS-SUIGCWNFSA-N
XLogP10.39
TPSA349.20 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001392.46
LogP ≤ 510.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide) with MolForge

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 58348982
N-[2-[2-(but-2-enoylamino)ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 76769351
ethyl N-[2-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyldisulfanyl]ethyl]carbamate
CID 123489853
5-[2-[2-(docosa-4,7,10,13,16,19-hexaenoylamino)ethyldisulfanyl]ethylamino]-5-oxopentanoic acid
CID 78091912
[4-[[3-[2-(2-aminoethyldisulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] icosa-5,8,11,14,17-pentaenoate
CID 123855607
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374072
N-[2-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 75628677
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 123821068
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 140612585
N-[2-(2-aminoethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 139676066
N-[2-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 118539446
5-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyldisulfanyl]ethylamino]-5-oxopentanoic acid
CID 71509691

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide) (CID 158971107) is 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide).
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide) is C/C=C/C(=O)Cl.C/C=C/C(=O)NCCSSCCN.C/C=C/C(=O)NCCSSCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC(C)(C)OC(=O)NCCSSCCN.NCCSSCCN.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)?
The InChIKey is JNVFUPCTNKOZBS-SUIGCWNFSA-N. The full InChI is InChI=1S/C30H46N2O2S2.C9H20N2O2S2.C8H16N2OS2.C4H5ClO.C4H12N2S2.3CO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(34)32-26-28-36-35-27-25-31-29(33)23-4-2;1-9(2,3)13-8(12)11-5-7-15-14-6-4-10;1-2-3-8(11)10-5-7-13-12-6-4-9;1-2-3-4(5)6;5-1-3-7-8-4-2-6;3*2-1-3/h4-6,8-9,11-12,14-15,17-18,20-21,23H,3,7,10,13,16,19,22,24-28H2,1-2H3,(H,31,33)(H,32,34);4-7,10H2,1-3H3,(H,11,12);2-3H,4-7,9H2,1H3,(H,10,11);2-3H,1H3;1-6H2;;;/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,23-4+;;2*3-2+;;;;.
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide)?
2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide) has a molecular weight of 1392.46 g/mol, XLogP of 10.39, 41 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine;(E)-N-[2-(2-aminoethyldisulfanyl)ethyl]but-2-enamide;(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyldisulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide;(E)-but-2-enoyl chloride;tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate;tris(carbon dioxide) is sourced from PubChem (CID 158971107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).