ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate

C10H19NO3S — CID 79326682

IUPACethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
SMILESCCNC(CSC1COC1)C(=O)OCC
InChIInChI=1S/C10H19NO3S/c1-3-11-9(10(12)14-4-2)7-15-8-5-13-6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyAJNBEEAYYLVXFU-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.66
Rot. Bonds7

About ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate

ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate (PubChem CID 79326682) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
PubChem CID79326682
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
SMILESCCNC(CSC1COC1)C(=O)OCC
InChIInChI=1S/C10H19NO3S/c1-3-11-9(10(12)14-4-2)7-15-8-5-13-6-8/h8-9,11H,3-7H2,1-2H3
InChIKeyAJNBEEAYYLVXFU-UHFFFAOYSA-N
XLogP0.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
The IUPAC name of ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate (CID 79326682) is ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate is CCNC(CSC1COC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
The InChIKey is AJNBEEAYYLVXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-3-11-9(10(12)14-4-2)7-15-8-5-13-6-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate?
ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate has a molecular weight of 233.33 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate is sourced from PubChem (CID 79326682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).