ethyl 2-(oxetan-3-ylsulfanyl)propanoate

C8H14O3S — CID 79325692

IUPACethyl 2-(oxetan-3-ylsulfanyl)propanoate
SMILESCCOC(=O)C(C)SC1COC1
InChIInChI=1S/C8H14O3S/c1-3-11-8(9)6(2)12-7-4-10-5-7/h6-7H,3-5H2,1-2H3
InChIKeyKABZZIYYCFUVMX-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.07
Rot. Bonds4

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

ethyl 2-(oxetan-3-ylsulfanyl)propanoate (PubChem CID 79325692) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is ethyl 2-(oxetan-3-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(oxetan-3-ylsulfanyl)propanoate
PubChem CID79325692
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Nameethyl 2-(oxetan-3-ylsulfanyl)propanoate
SMILESCCOC(=O)C(C)SC1COC1
InChIInChI=1S/C8H14O3S/c1-3-11-8(9)6(2)12-7-4-10-5-7/h6-7H,3-5H2,1-2H3
InChIKeyKABZZIYYCFUVMX-UHFFFAOYSA-N
XLogP1.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-2-(oxetan-3-ylsulfanyl)acetate
CID 79366241
ethyl 2-methyl-2-(methylamino)-4-(oxetan-3-ylsulfanyl)pentanoate
CID 79326786
ethyl 4-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)butanoate
CID 79326117
ethyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79326682
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
diethyl 2-[(3R,4S)-4-hydroxyoxolan-3-yl]propanedioate
CID 139791909
ethyl (E)-4-(oxetan-3-ylsulfanyl)but-2-enoate
CID 80546112
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
ethyl 2-(2-methylpropanoylsulfanyl)propanoate
CID 122588373
methyl 2-(ethylamino)-3-(oxetan-3-ylsulfanyl)propanoate
CID 79325776
1-(4-bromophenyl)-2-(oxetan-3-ylsulfanyl)propan-1-one
CID 79326421

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxetan-3-ylsulfanyl)propanoate?
The IUPAC name of ethyl 2-(oxetan-3-ylsulfanyl)propanoate (CID 79325692) is ethyl 2-(oxetan-3-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 2-(oxetan-3-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 2-(oxetan-3-ylsulfanyl)propanoate is CCOC(=O)C(C)SC1COC1.
What is the InChIKey of ethyl 2-(oxetan-3-ylsulfanyl)propanoate?
The InChIKey is KABZZIYYCFUVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-3-11-8(9)6(2)12-7-4-10-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(oxetan-3-ylsulfanyl)propanoate?
ethyl 2-(oxetan-3-ylsulfanyl)propanoate has a molecular weight of 190.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxetan-3-ylsulfanyl)propanoate is sourced from PubChem (CID 79325692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).