2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate

C14H21NO2S2 — CID 174589325

IUPAC2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate
SMILESO=C(CCSc1cccs1)OCCC1CCNCC1
InChIInChI=1S/C14H21NO2S2/c16-13(6-11-19-14-2-1-10-18-14)17-9-5-12-3-7-15-8-4-12/h1-2,10,12,15H,3-9,11H2
InChIKeyVABGUZQOCWATQI-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.16
Rot. Bonds7

About 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate

2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate (PubChem CID 174589325) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate.

Molecular Properties

Compound Name2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate
PubChem CID174589325
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate
SMILESO=C(CCSc1cccs1)OCCC1CCNCC1
InChIInChI=1S/C14H21NO2S2/c16-13(6-11-19-14-2-1-10-18-14)17-9-5-12-3-7-15-8-4-12/h1-2,10,12,15H,3-9,11H2
InChIKeyVABGUZQOCWATQI-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate?
The IUPAC name of 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate (CID 174589325) is 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate.
What is the SMILES notation for 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate?
The canonical SMILES for 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate is O=C(CCSc1cccs1)OCCC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate?
The InChIKey is VABGUZQOCWATQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c16-13(6-11-19-14-2-1-10-18-14)17-9-5-12-3-7-15-8-4-12/h1-2,10,12,15H,3-9,11H2.
What are the key properties of 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate?
2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate has a molecular weight of 299.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate is sourced from PubChem (CID 174589325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).