ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate

C11H23NO3S — CID 103265328

IUPACethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(C)(C)SC
InChIInChI=1S/C11H23NO3S/c1-5-15-10(13)8-14-7-6-12-9-11(2,3)16-4/h12H,5-9H2,1-4H3
InChIKeyKXMAZRBKXCGBAW-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.30
Rot. Bonds9

About ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate

ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate (PubChem CID 103265328) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
PubChem CID103265328
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC(C)(C)SC
InChIInChI=1S/C11H23NO3S/c1-5-15-10(13)8-14-7-6-12-9-11(2,3)16-4/h12H,5-9H2,1-4H3
InChIKeyKXMAZRBKXCGBAW-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate (CID 103265328) is ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate is CCOC(=O)COCCNCC(C)(C)SC.
What is the InChIKey of ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate?
The InChIKey is KXMAZRBKXCGBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-5-15-10(13)8-14-7-6-12-9-11(2,3)16-4/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate?
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate has a molecular weight of 249.38 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate is sourced from PubChem (CID 103265328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).