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

C107H244N20O12S8+10 — CID 164996606

IUPACbutyl-(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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)N(C)C.CCCC[N+](CC)(CCC)CCSC(=O)NC.CCCC[N+](CC)(CCC)CCSC(N)=O.CCC[N+](CC)(CCC)CCOC(=O)N(C)C.CCC[N+](CC)(CCC)CCSC(=O)NC.CCC[N+](CC)(CCC)CCSC(N)=O.CC[N+](CC)(CC)CCSC(=O)NC.CC[N+](CC)(CC)CCSC(N)=O.CNC(=O)SCC[N+](C)(C)C.C[N+](C)(C)CCSC(N)=O
InChIInChI=1S/C14H31N2O2.C13H29N2O2.C13H28N2OS.2C12H26N2OS.C11H24N2OS.C10H22N2OS.C9H20N2OS.C7H16N2OS.C6H14N2OS/c1-6-9-11-16(8-3,10-7-2)12-13-18-14(17)15(4)5;1-6-9-15(8-3,10-7-2)11-12-17-13(16)14(4)5;1-5-8-10-15(7-3,9-6-2)11-12-17-13(16)14-4;1-5-8-14(7-3,9-6-2)10-11-16-12(15)13-4;1-4-7-9-14(6-3,8-5-2)10-11-16-12(13)15;1-4-7-13(6-3,8-5-2)9-10-15-11(12)14;1-5-12(6-2,7-3)8-9-14-10(13)11-4;1-4-11(5-2,6-3)7-8-13-9(10)12;1-8-7(10)11-6-5-9(2,3)4;1-8(2,3)4-5-10-6(7)9/h6-13H2,1-5H3;6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3;4-11H2,1-3H3,(H-,13,15);4-10H2,1-3H3,(H-,12,14);5-9H2,1-4H3;4-8H2,1-3H3,(H-,10,12);5-6H2,1-4H3;4-5H2,1-3H3,(H-,7,9)/q2*+1;;;;;;;;/p+8
InChIKeyHQIUTCHUIWIVBW-UHFFFAOYSA-V
MW2259.79 g/mol
LogP21.07
Rot. Bonds69

About 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

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 (PubChem CID 164996606) has the molecular formula C107H244N20O12S8+10 and a molecular weight of 2259.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebutyl-(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
PubChem CID164996606
Molecular FormulaC107H244N20O12S8+10
Molecular Weight2259.79 g/mol
Exact Mass2257.68
IUPAC Namebutyl-(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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)N(C)C.CCCC[N+](CC)(CCC)CCSC(=O)NC.CCCC[N+](CC)(CCC)CCSC(N)=O.CCC[N+](CC)(CCC)CCOC(=O)N(C)C.CCC[N+](CC)(CCC)CCSC(=O)NC.CCC[N+](CC)(CCC)CCSC(N)=O.CC[N+](CC)(CC)CCSC(=O)NC.CC[N+](CC)(CC)CCSC(N)=O.CNC(=O)SCC[N+](C)(C)C.C[N+](C)(C)CCSC(N)=O
InChIInChI=1S/C14H31N2O2.C13H29N2O2.C13H28N2OS.2C12H26N2OS.C11H24N2OS.C10H22N2OS.C9H20N2OS.C7H16N2OS.C6H14N2OS/c1-6-9-11-16(8-3,10-7-2)12-13-18-14(17)15(4)5;1-6-9-15(8-3,10-7-2)11-12-17-13(16)14(4)5;1-5-8-10-15(7-3,9-6-2)11-12-17-13(16)14-4;1-5-8-14(7-3,9-6-2)10-11-16-12(15)13-4;1-4-7-9-14(6-3,8-5-2)10-11-16-12(13)15;1-4-7-13(6-3,8-5-2)9-10-15-11(12)14;1-5-12(6-2,7-3)8-9-14-10(13)11-4;1-4-11(5-2,6-3)7-8-13-9(10)12;1-8-7(10)11-6-5-9(2,3)4;1-8(2,3)4-5-10-6(7)9/h6-13H2,1-5H3;6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3;4-11H2,1-3H3,(H-,13,15);4-10H2,1-3H3,(H-,12,14);5-9H2,1-4H3;4-8H2,1-3H3,(H-,10,12);5-6H2,1-4H3;4-5H2,1-3H3,(H-,7,9)/q2*+1;;;;;;;;/p+8
InChIKeyHQIUTCHUIWIVBW-UHFFFAOYSA-V
XLogP21.07
TPSA347.84 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds69
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002259.79
LogP ≤ 521.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[N+](CC)(CCC)CCOC(=O)N(C)C.CCCC[N+](CC)(CCC)CCSC(=O)NC.CCCC[N+](CC)(CCC)CCSC(N)=O.CCC[N+](CC)(CCC)CCOC(=O)N(C)C.CCC[N+](CC)(CCC)CCSC(=O)NC.CCC[N+](CC)(CCC)CCSC(N)=O.CC[N+](CC)(CC)CCSC(=O)NC.CC[N+](CC)(CC)CCSC(N)=O.CNC(=O)SCC[N+](C)(C)C.C[N+](C)(C)CCSC(N)=O.
What is the InChIKey of 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?
The InChIKey is HQIUTCHUIWIVBW-UHFFFAOYSA-V. The full InChI is InChI=1S/C14H31N2O2.C13H29N2O2.C13H28N2OS.2C12H26N2OS.C11H24N2OS.C10H22N2OS.C9H20N2OS.C7H16N2OS.C6H14N2OS/c1-6-9-11-16(8-3,10-7-2)12-13-18-14(17)15(4)5;1-6-9-15(8-3,10-7-2)11-12-17-13(16)14(4)5;1-5-8-10-15(7-3,9-6-2)11-12-17-13(16)14-4;1-5-8-14(7-3,9-6-2)10-11-16-12(15)13-4;1-4-7-9-14(6-3,8-5-2)10-11-16-12(13)15;1-4-7-13(6-3,8-5-2)9-10-15-11(12)14;1-5-12(6-2,7-3)8-9-14-10(13)11-4;1-4-11(5-2,6-3)7-8-13-9(10)12;1-8-7(10)11-6-5-9(2,3)4;1-8(2,3)4-5-10-6(7)9/h6-13H2,1-5H3;6-12H2,1-5H3;5-12H2,1-4H3;5-11H2,1-4H3;4-11H2,1-3H3,(H-,13,15);4-10H2,1-3H3,(H-,12,14);5-9H2,1-4H3;4-8H2,1-3H3,(H-,10,12);5-6H2,1-4H3;4-5H2,1-3H3,(H-,7,9)/q2*+1;;;;;;;;/p+8.
What are the key properties of 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?
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 has a molecular weight of 2259.79 g/mol, XLogP of 21.07, 69 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164996606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).