2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide

C15H32N2O3S — CID 104563118

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
SMILESCCCCOCCOCCOCCN(CCC)CC(N)=S
InChIInChI=1S/C15H32N2O3S/c1-3-5-8-18-10-12-20-13-11-19-9-7-17(6-4-2)14-15(16)21/h3-14H2,1-2H3,(H2,16,21)
InChIKeyLMIMKYBUDNSIOG-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.83
Rot. Bonds16

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide (PubChem CID 104563118) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
PubChem CID104563118
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
SMILESCCCCOCCOCCOCCN(CCC)CC(N)=S
InChIInChI=1S/C15H32N2O3S/c1-3-5-8-18-10-12-20-13-11-19-9-7-17(6-4-2)14-15(16)21/h3-14H2,1-2H3,(H2,16,21)
InChIKeyLMIMKYBUDNSIOG-UHFFFAOYSA-N
XLogP1.83
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-butoxyethyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927576
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820
2-butoxyethanethioamide
CID 43267695
2-[2-hydroxyethyl(propyl)amino]ethanethioamide
CID 61424622
2-[4-methylpentyl(propyl)amino]ethanethioamide
CID 83156045
N,N-dibutyl-2-[2-[2-(dibutylamino)-2-sulfanylideneethoxy]ethoxy]ethanethioamide
CID 615476
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
2-(2-propoxyethoxy)ethanethioamide
CID 63686022

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide (CID 104563118) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide is CCCCOCCOCCOCCN(CCC)CC(N)=S.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide?
The InChIKey is LMIMKYBUDNSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-3-5-8-18-10-12-20-13-11-19-9-7-17(6-4-2)14-15(16)21/h3-14H2,1-2H3,(H2,16,21).
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide has a molecular weight of 320.50 g/mol, XLogP of 1.83, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide is sourced from PubChem (CID 104563118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).