2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide

C9H20N2O2S — CID 115740075

IUPAC2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)NC(=O)COCCN
InChIInChI=1S/C9H20N2O2S/c1-8(3-6-14-2)11-9(12)7-13-5-4-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyDFYOQZTZZMICNN-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.22
Rot. Bonds8

About 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide

2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide (PubChem CID 115740075) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
PubChem CID115740075
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)NC(=O)COCCN
InChIInChI=1S/C9H20N2O2S/c1-8(3-6-14-2)11-9(12)7-13-5-4-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyDFYOQZTZZMICNN-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide (CID 115740075) is 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide is CSCCC(C)NC(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is DFYOQZTZZMICNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(3-6-14-2)11-9(12)7-13-5-4-10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide?
2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 220.34 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 115740075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).