N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine

C13H28N2OS — CID 66422368

IUPACN-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
SMILESCOCCN(CCC1CSCCN1)CC(C)C
InChIInChI=1S/C13H28N2OS/c1-12(2)10-15(7-8-16-3)6-4-13-11-17-9-5-14-13/h12-14H,4-11H2,1-3H3
InChIKeyPQQGALFIDWPBLE-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.69
Rot. Bonds8

About N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine

N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine (PubChem CID 66422368) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
PubChem CID66422368
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
SMILESCOCCN(CCC1CSCCN1)CC(C)C
InChIInChI=1S/C13H28N2OS/c1-12(2)10-15(7-8-16-3)6-4-13-11-17-9-5-14-13/h12-14H,4-11H2,1-3H3
InChIKeyPQQGALFIDWPBLE-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-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-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine (CID 66422368) is N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine is COCCN(CCC1CSCCN1)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
The InChIKey is PQQGALFIDWPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-12(2)10-15(7-8-16-3)6-4-13-11-17-9-5-14-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine?
N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine has a molecular weight of 260.45 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 66422368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).