butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium

C186H370N15O15S15+15 — CID 165096683

IUPACbutyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium
SMILESC#CC(=O)SCC[N+](C)(C)C.C#CC(=O)SCC[N+](CC)(CC)CC.C#CC(=O)SCC[N+](CC)(CCC)CCC.C#CC(=O)SCC[N+](CC)(CCC)CCCC.C=C(C)C(=O)SCC[N+](C)(C)C.C=C(C)C(=O)SCC[N+](CC)(CC)CC.C=C(C)C(=O)SCC[N+](CC)(CCC)CCC.C=C(C)C(=O)SCC[N+](CC)(CCC)CCCC.C=CC(=O)SCC[N+](C)(C)C.C=CC(=O)SCC[N+](CC)(CC)CC.C=CC(=O)SCC[N+](CC)(CCC)CCC.C=CC(=O)SCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCSC(=O)C(C)(C)C.CCC[N+](CC)(CCC)CCSC(=O)C(C)(C)C.CC[N+](CC)(CC)CCSC(=O)C(C)(C)C
InChIInChI=1S/C16H34NOS.C15H32NOS.C15H30NOS.2C14H28NOS.C14H26NOS.C13H28NOS.C13H26NOS.C13H24NOS.C12H24NOS.C11H22NOS.C11H20NOS.C9H18NOS.C8H16NOS.C8H14NOS/c1-7-10-12-17(9-3,11-8-2)13-14-19-15(18)16(4,5)6;1-7-10-16(9-3,11-8-2)12-13-18-14(17)15(4,5)6;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;2*1-5-9-11-15(8-4,10-6-2)12-13-17-14(16)7-3;1-7-14(8-2,9-3)10-11-16-12(15)13(4,5)6;2*1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;2*1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-8(2)9(11)12-7-6-10(3,4)5;2*1-5-8(10)11-7-6-9(2,3)4/h7-14H2,1-6H3;7-13H2,1-6H3;4,6-13H2,1-3,5H3;4,6-12H2,1-3,5H3;7H,3,5-6,8-13H2,1-2,4H3;3H,5-6,8-13H2,1-2,4H3;7-11H2,1-6H3;7H,3,5-6,8-12H2,1-2,4H3;3H,5-6,8-12H2,1-2,4H3;4,6-10H2,1-3,5H3;5H,1,6-10H2,2-4H3;1H,6-10H2,2-4H3;1,6-7H2,2-5H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3/q15*+1
InChIKeyXPZDFDJMVZWULH-UHFFFAOYSA-N
MW3538.10 g/mol
LogP40.85
Rot. Bonds109

About butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium

butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium (PubChem CID 165096683) has the molecular formula C186H370N15O15S15+15 and a molecular weight of 3538.10 g/mol. Its IUPAC name is butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium.

Molecular Properties

Compound Namebutyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium
PubChem CID165096683
Molecular FormulaC186H370N15O15S15+15
Molecular Weight3538.10 g/mol
Exact Mass3534.44
IUPAC Namebutyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium
SMILESC#CC(=O)SCC[N+](C)(C)C.C#CC(=O)SCC[N+](CC)(CC)CC.C#CC(=O)SCC[N+](CC)(CCC)CCC.C#CC(=O)SCC[N+](CC)(CCC)CCCC.C=C(C)C(=O)SCC[N+](C)(C)C.C=C(C)C(=O)SCC[N+](CC)(CC)CC.C=C(C)C(=O)SCC[N+](CC)(CCC)CCC.C=C(C)C(=O)SCC[N+](CC)(CCC)CCCC.C=CC(=O)SCC[N+](C)(C)C.C=CC(=O)SCC[N+](CC)(CC)CC.C=CC(=O)SCC[N+](CC)(CCC)CCC.C=CC(=O)SCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCSC(=O)C(C)(C)C.CCC[N+](CC)(CCC)CCSC(=O)C(C)(C)C.CC[N+](CC)(CC)CCSC(=O)C(C)(C)C
InChIInChI=1S/C16H34NOS.C15H32NOS.C15H30NOS.2C14H28NOS.C14H26NOS.C13H28NOS.C13H26NOS.C13H24NOS.C12H24NOS.C11H22NOS.C11H20NOS.C9H18NOS.C8H16NOS.C8H14NOS/c1-7-10-12-17(9-3,11-8-2)13-14-19-15(18)16(4,5)6;1-7-10-16(9-3,11-8-2)12-13-18-14(17)15(4,5)6;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;2*1-5-9-11-15(8-4,10-6-2)12-13-17-14(16)7-3;1-7-14(8-2,9-3)10-11-16-12(15)13(4,5)6;2*1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;2*1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-8(2)9(11)12-7-6-10(3,4)5;2*1-5-8(10)11-7-6-9(2,3)4/h7-14H2,1-6H3;7-13H2,1-6H3;4,6-13H2,1-3,5H3;4,6-12H2,1-3,5H3;7H,3,5-6,8-13H2,1-2,4H3;3H,5-6,8-13H2,1-2,4H3;7-11H2,1-6H3;7H,3,5-6,8-12H2,1-2,4H3;3H,5-6,8-12H2,1-2,4H3;4,6-10H2,1-3,5H3;5H,1,6-10H2,2-4H3;1H,6-10H2,2-4H3;1,6-7H2,2-5H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3/q15*+1
InChIKeyXPZDFDJMVZWULH-UHFFFAOYSA-N
XLogP40.85
TPSA256.05 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds109
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003538.10
LogP ≤ 540.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium with MolForge

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Launch Full Analysis

Related Compounds

2-[(E)-but-2-enoyl]sulfanylethyl-ethyl-dipropylazanium;2-[(E)-but-2-enoyl]sulfanylethyl-triethylazanium;2-[(E)-but-2-enoyl]sulfanylethyl-trimethylazanium;butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-trimethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium
CID 158768997
butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-trimethylazanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium
CID 162164090
butyl-ethyl-(2-propanoylsulfanylethyl)-propylazanium;ethyl-(2-propanoylsulfanylethyl)-dipropylazanium;triethyl(2-propanoylsulfanylethyl)azanium;trimethyl(2-propanoylsulfanylethyl)azanium
CID 159677432
2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 159173358
butyl(triethyl)azanium;2-methylprop-2-enoate
CID 139889730
S-butyl 2,2-dimethylpropanethioate
CID 12634487
S-hexyl prop-2-enethioate
CID 57039086
2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium;2-[(E)-but-2-enoyl]oxyethyl-ethyl-dipropylazanium;2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium
CID 162025909
(S)-2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium
CID 170124321
butyl-(2-carbamoylsulfanylethyl)-ethyl-propylazanium;butyl-[2-(dimethylcarbamoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-propylazanium;2-carbamoylsulfanylethyl-ethyl-dipropylazanium;2-carbamoylsulfanylethyl(triethyl)azanium;2-carbamoylsulfanylethyl(trimethyl)azanium;2-(dimethylcarbamoyloxy)ethyl-ethyl-dipropylazanium;ethyl-[2-(methylcarbamoylsulfanyl)ethyl]-dipropylazanium;triethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium;trimethyl-[2-(methylcarbamoylsulfanyl)ethyl]azanium
CID 164996606
dibutyl-ethyl-propylazanium hydroxide
CID 126618313
dibutyl-prop-2-enoyl-propylazanium
CID 87268891

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium?
The IUPAC name of butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium (CID 165096683) is butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium.
What is the SMILES notation for butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium?
The canonical SMILES for butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium is C#CC(=O)SCC[N+](C)(C)C.C#CC(=O)SCC[N+](CC)(CC)CC.C#CC(=O)SCC[N+](CC)(CCC)CCC.C#CC(=O)SCC[N+](CC)(CCC)CCCC.C=C(C)C(=O)SCC[N+](C)(C)C.C=C(C)C(=O)SCC[N+](CC)(CC)CC.C=C(C)C(=O)SCC[N+](CC)(CCC)CCC.C=C(C)C(=O)SCC[N+](CC)(CCC)CCCC.C=CC(=O)SCC[N+](C)(C)C.C=CC(=O)SCC[N+](CC)(CC)CC.C=CC(=O)SCC[N+](CC)(CCC)CCC.C=CC(=O)SCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCSC(=O)C(C)(C)C.CCC[N+](CC)(CCC)CCSC(=O)C(C)(C)C.CC[N+](CC)(CC)CCSC(=O)C(C)(C)C.
What is the InChIKey of butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium?
The InChIKey is XPZDFDJMVZWULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NOS.C15H32NOS.C15H30NOS.2C14H28NOS.C14H26NOS.C13H28NOS.C13H26NOS.C13H24NOS.C12H24NOS.C11H22NOS.C11H20NOS.C9H18NOS.C8H16NOS.C8H14NOS/c1-7-10-12-17(9-3,11-8-2)13-14-19-15(18)16(4,5)6;1-7-10-16(9-3,11-8-2)12-13-18-14(17)15(4,5)6;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;2*1-5-9-11-15(8-4,10-6-2)12-13-17-14(16)7-3;1-7-14(8-2,9-3)10-11-16-12(15)13(4,5)6;2*1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;2*1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-8(2)9(11)12-7-6-10(3,4)5;2*1-5-8(10)11-7-6-9(2,3)4/h7-14H2,1-6H3;7-13H2,1-6H3;4,6-13H2,1-3,5H3;4,6-12H2,1-3,5H3;7H,3,5-6,8-13H2,1-2,4H3;3H,5-6,8-13H2,1-2,4H3;7-11H2,1-6H3;7H,3,5-6,8-12H2,1-2,4H3;3H,5-6,8-12H2,1-2,4H3;4,6-10H2,1-3,5H3;5H,1,6-10H2,2-4H3;1H,6-10H2,2-4H3;1,6-7H2,2-5H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3/q15*+1.
What are the key properties of butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium?
butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium has a molecular weight of 3538.10 g/mol, XLogP of 40.85, 109 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2,2-dimethylpropanoylsulfanyl)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoylsulfanylethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-2-ynoylsulfanylethyl)azanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoylsulfanyl)ethyl-triethylazanium;ethyl-dipropyl-(2-prop-2-ynoylsulfanylethyl)azanium;ethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoylsulfanylethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;triethyl(2-prop-2-enoylsulfanylethyl)azanium;triethyl(2-prop-2-ynoylsulfanylethyl)azanium;trimethyl-[2-(2-methylprop-2-enoylsulfanyl)ethyl]azanium;trimethyl(2-prop-2-enoylsulfanylethyl)azanium;trimethyl(2-prop-2-ynoylsulfanylethyl)azanium is sourced from PubChem (CID 165096683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).