2-ethylsulfanylacetamide

C4H9NOS — CID 14359682

IUPAC2-ethylsulfanylacetamide
SMILESCCSCC(N)=O
InChIInChI=1S/C4H9NOS/c1-2-7-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeySBZWVTZXTUYYBZ-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.22
Rot. Bonds3

About 2-ethylsulfanylacetamide

2-ethylsulfanylacetamide (PubChem CID 14359682) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 2-ethylsulfanylacetamide.

Molecular Properties

Compound Name2-ethylsulfanylacetamide
PubChem CID14359682
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name2-ethylsulfanylacetamide
SMILESCCSCC(N)=O
InChIInChI=1S/C4H9NOS/c1-2-7-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeySBZWVTZXTUYYBZ-UHFFFAOYSA-N
XLogP0.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylacetamide?
The IUPAC name of 2-ethylsulfanylacetamide (CID 14359682) is 2-ethylsulfanylacetamide.
What is the SMILES notation for 2-ethylsulfanylacetamide?
The canonical SMILES for 2-ethylsulfanylacetamide is CCSCC(N)=O.
What is the InChIKey of 2-ethylsulfanylacetamide?
The InChIKey is SBZWVTZXTUYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-2-7-3-4(5)6/h2-3H2,1H3,(H2,5,6).
What are the key properties of 2-ethylsulfanylacetamide?
2-ethylsulfanylacetamide has a molecular weight of 119.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylacetamide is sourced from PubChem (CID 14359682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).