2-piperidin-1-ylethyl 2-propylsulfanylpentanoate

C15H29NO2S — CID 3052727

IUPAC2-piperidin-1-ylethyl 2-propylsulfanylpentanoate
SMILESCCCSC(CCC)C(=O)OCCN1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-3-8-14(19-13-4-2)15(17)18-12-11-16-9-6-5-7-10-16/h14H,3-13H2,1-2H3
InChIKeyCZVLFJFKRSGJFF-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.33
Rot. Bonds9

About 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate

2-piperidin-1-ylethyl 2-propylsulfanylpentanoate (PubChem CID 3052727) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-propylsulfanylpentanoate
PubChem CID3052727
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-piperidin-1-ylethyl 2-propylsulfanylpentanoate
SMILESCCCSC(CCC)C(=O)OCCN1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-3-8-14(19-13-4-2)15(17)18-12-11-16-9-6-5-7-10-16/h14H,3-13H2,1-2H3
InChIKeyCZVLFJFKRSGJFF-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate?
The IUPAC name of 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate (CID 3052727) is 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate is CCCSC(CCC)C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate?
The InChIKey is CZVLFJFKRSGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-3-8-14(19-13-4-2)15(17)18-12-11-16-9-6-5-7-10-16/h14H,3-13H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate?
2-piperidin-1-ylethyl 2-propylsulfanylpentanoate has a molecular weight of 287.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-propylsulfanylpentanoate is sourced from PubChem (CID 3052727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).