2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C9H19NO3S — CID 103799056

IUPAC2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCCOCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C9H19NO3S/c1-4-13-6-9(12)10-7(2)8(5-11)14-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyFKDADCYRIGZGFB-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.25
Rot. Bonds7

About 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103799056) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103799056
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCCOCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C9H19NO3S/c1-4-13-6-9(12)10-7(2)8(5-11)14-3/h7-8,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyFKDADCYRIGZGFB-UHFFFAOYSA-N
XLogP0.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103799056) is 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CCOCC(=O)NC(C)C(CO)SC.
What is the InChIKey of 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is FKDADCYRIGZGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-13-6-9(12)10-7(2)8(5-11)14-3/h7-8,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103799056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).