2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide

C6H14N2O2S — CID 164555731

IUPAC2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)CN=S(C)(C)=O
InChIInChI=1S/C6H14N2O2S/c1-4-7-6(9)5-8-11(2,3)10/h4-5H2,1-3H3,(H,7,9)
InChIKeyXGIIEGOVSZLWRI-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.15
Rot. Bonds3

About 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide

2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide (PubChem CID 164555731) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide
PubChem CID164555731
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)CN=S(C)(C)=O
InChIInChI=1S/C6H14N2O2S/c1-4-7-6(9)5-8-11(2,3)10/h4-5H2,1-3H3,(H,7,9)
InChIKeyXGIIEGOVSZLWRI-UHFFFAOYSA-N
XLogP-0.15
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide?
The IUPAC name of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide (CID 164555731) is 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide is CCNC(=O)CN=S(C)(C)=O.
What is the InChIKey of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide?
The InChIKey is XGIIEGOVSZLWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-4-7-6(9)5-8-11(2,3)10/h4-5H2,1-3H3,(H,7,9).
What are the key properties of 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide?
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide has a molecular weight of 178.26 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-ethylacetamide is sourced from PubChem (CID 164555731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).