diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium

C8H18NO2S+ — CID 168757934

IUPACdiethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)CS
InChIInChI=1S/C8H17NO2S/c1-3-9(4-2)5-6-11-8(10)7-12/h12H,3-7H2,1-2H3/p+1
InChIKeyHNGBLGMYQMUCEQ-UHFFFAOYSA-O
MW192.30 g/mol
LogP-0.62
Rot. Bonds6

About diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium

diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium (PubChem CID 168757934) has the molecular formula C8H18NO2S+ and a molecular weight of 192.30 g/mol. Its IUPAC name is diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
PubChem CID168757934
Molecular FormulaC8H18NO2S+
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Namediethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)CS
InChIInChI=1S/C8H17NO2S/c1-3-9(4-2)5-6-11-8(10)7-12/h12H,3-7H2,1-2H3/p+1
InChIKeyHNGBLGMYQMUCEQ-UHFFFAOYSA-O
XLogP-0.62
TPSA30.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[3-ethyl-3-(2-sulfanylacetyl)oxypentyl] 2-sulfanylacetate
CID 59440727
diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium
CID 162508941
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
CID 25040
triacontyl 2-sulfanylacetate
CID 54050148
[3-methyl-3-(2-sulfanylacetyl)oxybutyl] 2-sulfanylacetate
CID 58944116
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
CID 125484596
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
CID 173439271
3,3-bis(sulfanyl)propyl 2-sulfanylacetate
CID 57040790
tetrakis(butyl 2-sulfanylacetate);sulfanylidene(2-sulfanylidenestibanylethyl)stibane
CID 173428309
dibutyltin;bis(2-sulfanylethyl 2-sulfanylacetate)
CID 87537054
diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride
CID 30179
dodecyl-dimethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 102448520

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium?
The IUPAC name of diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium (CID 168757934) is diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium.
What is the SMILES notation for diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium?
The canonical SMILES for diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium is CC[NH+](CC)CCOC(=O)CS.
What is the InChIKey of diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium?
The InChIKey is HNGBLGMYQMUCEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO2S/c1-3-9(4-2)5-6-11-8(10)7-12/h12H,3-7H2,1-2H3/p+1.
What are the key properties of diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium?
diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium has a molecular weight of 192.30 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium is sourced from PubChem (CID 168757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).