[2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate

C11H15NO2S — CID 174600036

IUPAC[2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate
SMILESNC(COC=O)c1cscc1C1CCC1
InChIInChI=1S/C11H15NO2S/c12-11(4-14-7-13)10-6-15-5-9(10)8-2-1-3-8/h5-8,11H,1-4,12H2
InChIKeyXJSDJRWWYUOESQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.19
Rot. Bonds5

About [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate

[2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate (PubChem CID 174600036) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate.

Molecular Properties

Compound Name[2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate
PubChem CID174600036
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate
SMILESNC(COC=O)c1cscc1C1CCC1
InChIInChI=1S/C11H15NO2S/c12-11(4-14-7-13)10-6-15-5-9(10)8-2-1-3-8/h5-8,11H,1-4,12H2
InChIKeyXJSDJRWWYUOESQ-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate?
The IUPAC name of [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate (CID 174600036) is [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate.
What is the SMILES notation for [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate?
The canonical SMILES for [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate is NC(COC=O)c1cscc1C1CCC1.
What is the InChIKey of [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate?
The InChIKey is XJSDJRWWYUOESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c12-11(4-14-7-13)10-6-15-5-9(10)8-2-1-3-8/h5-8,11H,1-4,12H2.
What are the key properties of [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate?
[2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate has a molecular weight of 225.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(4-cyclobutylthiophen-3-yl)ethyl] formate is sourced from PubChem (CID 174600036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).