4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine

C15H24N2O3S2 — CID 70727742

IUPAC4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCCC1CCc1cccs1
InChIInChI=1S/C15H24N2O3S2/c18-22(19,16-9-11-20-12-10-16)17-8-2-1-4-14(17)6-7-15-5-3-13-21-15/h3,5,13-14H,1-2,4,6-12H2
InChIKeyAFPAVWZBLZLMDK-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.11
Rot. Bonds5

About 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine

4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 70727742) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
PubChem CID70727742
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCCC1CCc1cccs1
InChIInChI=1S/C15H24N2O3S2/c18-22(19,16-9-11-20-12-10-16)17-8-2-1-4-14(17)6-7-15-5-3-13-21-15/h3,5,13-14H,1-2,4,6-12H2
InChIKeyAFPAVWZBLZLMDK-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine (CID 70727742) is 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCCCC1CCc1cccs1.
What is the InChIKey of 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is AFPAVWZBLZLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c18-22(19,16-9-11-20-12-10-16)17-8-2-1-4-14(17)6-7-15-5-3-13-21-15/h3,5,13-14H,1-2,4,6-12H2.
What are the key properties of 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine?
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 344.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 70727742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).