4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine

C15H30N2S — CID 39826332

IUPAC4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine
SMILESCCC(CC)CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C15H30N2S/c1-3-14(4-2)13-16-7-5-15(6-8-16)17-9-11-18-12-10-17/h14-15H,3-13H2,1-2H3
InChIKeyYGEFNRBLVXSIIU-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.94
Rot. Bonds5

About 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine

4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine (PubChem CID 39826332) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine
PubChem CID39826332
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine
SMILESCCC(CC)CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C15H30N2S/c1-3-14(4-2)13-16-7-5-15(6-8-16)17-9-11-18-12-10-17/h14-15H,3-13H2,1-2H3
InChIKeyYGEFNRBLVXSIIU-UHFFFAOYSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine (CID 39826332) is 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine is CCC(CC)CN1CCC(N2CCSCC2)CC1.
What is the InChIKey of 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine?
The InChIKey is YGEFNRBLVXSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-3-14(4-2)13-16-7-5-15(6-8-16)17-9-11-18-12-10-17/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine?
4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine has a molecular weight of 270.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylbutyl)piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 39826332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).