N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide

C9H19NO3S — CID 88544622

IUPACN-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide
SMILESCSCCOCCOCCNC(C)=O
InChIInChI=1S/C9H19NO3S/c1-9(11)10-3-4-12-5-6-13-7-8-14-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyDSHOZPDODHUPRL-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.52
Rot. Bonds9

About N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide

N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide (PubChem CID 88544622) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide
PubChem CID88544622
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide
SMILESCSCCOCCOCCNC(C)=O
InChIInChI=1S/C9H19NO3S/c1-9(11)10-3-4-12-5-6-13-7-8-14-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyDSHOZPDODHUPRL-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide (CID 88544622) is N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide is CSCCOCCOCCNC(C)=O.
What is the InChIKey of N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide?
The InChIKey is DSHOZPDODHUPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(11)10-3-4-12-5-6-13-7-8-14-2/h3-8H2,1-2H3,(H,10,11).
What are the key properties of N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide?
N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide has a molecular weight of 221.32 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 88544622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).