[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate

C11H15NO4S — CID 88757546

IUPAC[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1sccc1OCC1CO1
InChIInChI=1S/C11H15NO4S/c1-2-4-12-11(13)16-10-9(3-5-17-10)15-7-8-6-14-8/h3,5,8H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyXUFOZWUGEMORJS-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.02
Rot. Bonds6

About [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate

[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate (PubChem CID 88757546) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate
PubChem CID88757546
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1sccc1OCC1CO1
InChIInChI=1S/C11H15NO4S/c1-2-4-12-11(13)16-10-9(3-5-17-10)15-7-8-6-14-8/h3,5,8H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyXUFOZWUGEMORJS-UHFFFAOYSA-N
XLogP2.02
TPSA60.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate?
The IUPAC name of [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate (CID 88757546) is [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate.
What is the SMILES notation for [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate?
The canonical SMILES for [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate is CCCNC(=O)Oc1sccc1OCC1CO1.
What is the InChIKey of [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate?
The InChIKey is XUFOZWUGEMORJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-4-12-11(13)16-10-9(3-5-17-10)15-7-8-6-14-8/h3,5,8H,2,4,6-7H2,1H3,(H,12,13).
What are the key properties of [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate?
[3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate has a molecular weight of 257.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxiran-2-ylmethoxy)thiophen-2-yl] N-propylcarbamate is sourced from PubChem (CID 88757546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).