[4-(ethoxycarbonylamino)thiolan-3-yl] acetate

C9H15NO4S — CID 3761891

IUPAC[4-(ethoxycarbonylamino)thiolan-3-yl] acetate
SMILESCCOC(=O)NC1CSCC1OC(C)=O
InChIInChI=1S/C9H15NO4S/c1-3-13-9(12)10-7-4-15-5-8(7)14-6(2)11/h7-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyZHGFTVVJUYRNOI-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.78
Rot. Bonds3

About [4-(ethoxycarbonylamino)thiolan-3-yl] acetate

[4-(ethoxycarbonylamino)thiolan-3-yl] acetate (PubChem CID 3761891) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is [4-(ethoxycarbonylamino)thiolan-3-yl] acetate.

Molecular Properties

Compound Name[4-(ethoxycarbonylamino)thiolan-3-yl] acetate
PubChem CID3761891
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name[4-(ethoxycarbonylamino)thiolan-3-yl] acetate
SMILESCCOC(=O)NC1CSCC1OC(C)=O
InChIInChI=1S/C9H15NO4S/c1-3-13-9(12)10-7-4-15-5-8(7)14-6(2)11/h7-8H,3-5H2,1-2H3,(H,10,12)
InChIKeyZHGFTVVJUYRNOI-UHFFFAOYSA-N
XLogP0.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(ethoxycarbonylamino)thiolan-3-yl] acetate?
The IUPAC name of [4-(ethoxycarbonylamino)thiolan-3-yl] acetate (CID 3761891) is [4-(ethoxycarbonylamino)thiolan-3-yl] acetate.
What is the SMILES notation for [4-(ethoxycarbonylamino)thiolan-3-yl] acetate?
The canonical SMILES for [4-(ethoxycarbonylamino)thiolan-3-yl] acetate is CCOC(=O)NC1CSCC1OC(C)=O.
What is the InChIKey of [4-(ethoxycarbonylamino)thiolan-3-yl] acetate?
The InChIKey is ZHGFTVVJUYRNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-3-13-9(12)10-7-4-15-5-8(7)14-6(2)11/h7-8H,3-5H2,1-2H3,(H,10,12).
What are the key properties of [4-(ethoxycarbonylamino)thiolan-3-yl] acetate?
[4-(ethoxycarbonylamino)thiolan-3-yl] acetate has a molecular weight of 233.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxycarbonylamino)thiolan-3-yl] acetate is sourced from PubChem (CID 3761891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).