N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide

C8H16N2O3S2 — CID 86068341

IUPACN-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide
SMILESCCNC(=O)C(S)OC(S)C(=O)NCC
InChIInChI=1S/C8H16N2O3S2/c1-3-9-5(11)7(14)13-8(15)6(12)10-4-2/h7-8,14-15H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyCTQNFWCTDSTHIJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP-0.21
Rot. Bonds6

About N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide

N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide (PubChem CID 86068341) has the molecular formula C8H16N2O3S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide
PubChem CID86068341
Molecular FormulaC8H16N2O3S2
Molecular Weight252.36 g/mol
Exact Mass252.06
IUPAC NameN-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide
SMILESCCNC(=O)C(S)OC(S)C(=O)NCC
InChIInChI=1S/C8H16N2O3S2/c1-3-9-5(11)7(14)13-8(15)6(12)10-4-2/h7-8,14-15H,3-4H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyCTQNFWCTDSTHIJ-UHFFFAOYSA-N
XLogP-0.21
TPSA67.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide?
The IUPAC name of N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide (CID 86068341) is N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide is CCNC(=O)C(S)OC(S)C(=O)NCC.
What is the InChIKey of N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide?
The InChIKey is CTQNFWCTDSTHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S2/c1-3-9-5(11)7(14)13-8(15)6(12)10-4-2/h7-8,14-15H,3-4H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide?
N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide has a molecular weight of 252.36 g/mol, XLogP of -0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(ethylamino)-2-oxo-1-sulfanylethoxy]-2-sulfanylacetamide is sourced from PubChem (CID 86068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).