ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate

C11H19NO3S — CID 106429938

IUPACethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate
SMILESC#CCSCCNCCOCC(=O)OCC
InChIInChI=1S/C11H19NO3S/c1-3-8-16-9-6-12-5-7-14-10-11(13)15-4-2/h1,12H,4-10H2,2H3
InChIKeyCNFKKPKSGDHTSL-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.52
Rot. Bonds10

About ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate

ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate (PubChem CID 106429938) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate
PubChem CID106429938
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate
SMILESC#CCSCCNCCOCC(=O)OCC
InChIInChI=1S/C11H19NO3S/c1-3-8-16-9-6-12-5-7-14-10-11(13)15-4-2/h1,12H,4-10H2,2H3
InChIKeyCNFKKPKSGDHTSL-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(4-methylsulfanylbutylamino)ethoxy]acetate
CID 103264028
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106428413
2,2-dimethyl-3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428755
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
CID 103265328
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
CID 114283912
ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
CID 103263560
3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428536
ethyl 2-[2-(hex-1-yn-3-ylamino)ethoxy]acetate
CID 106231895

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate (CID 106429938) is ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate is C#CCSCCNCCOCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate?
The InChIKey is CNFKKPKSGDHTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-8-16-9-6-12-5-7-14-10-11(13)15-4-2/h1,12H,4-10H2,2H3.
What are the key properties of ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate?
ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate has a molecular weight of 245.34 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate is sourced from PubChem (CID 106429938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).