N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine

C13H28N2OS — CID 114628469

IUPACN-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine
SMILESCCN(CCSC1CCNCC1)C(C)COC
InChIInChI=1S/C13H28N2OS/c1-4-15(12(2)11-16-3)9-10-17-13-5-7-14-8-6-13/h12-14H,4-11H2,1-3H3
InChIKeyYEURVOVTDXTJQG-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.83
Rot. Bonds8

About N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine

N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine (PubChem CID 114628469) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine
PubChem CID114628469
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine
SMILESCCN(CCSC1CCNCC1)C(C)COC
InChIInChI=1S/C13H28N2OS/c1-4-15(12(2)11-16-3)9-10-17-13-5-7-14-8-6-13/h12-14H,4-11H2,1-3H3
InChIKeyYEURVOVTDXTJQG-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine 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 N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine (CID 114628469) is N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine is CCN(CCSC1CCNCC1)C(C)COC.
What is the InChIKey of N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine?
The InChIKey is YEURVOVTDXTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-4-15(12(2)11-16-3)9-10-17-13-5-7-14-8-6-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine?
N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine has a molecular weight of 260.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-N-(2-piperidin-4-ylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 114628469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).