3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine

C16H32N2S2 — CID 12517930

IUPAC3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine
SMILESCCC1C(C)SCCN1CCN1CCSC(C)C1CC
InChIInChI=1S/C16H32N2S2/c1-5-15-13(3)19-11-9-17(15)7-8-18-10-12-20-14(4)16(18)6-2/h13-16H,5-12H2,1-4H3
InChIKeyNDXXRHIMEPQKKA-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.42
Rot. Bonds5

About 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine

3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine (PubChem CID 12517930) has the molecular formula C16H32N2S2 and a molecular weight of 316.58 g/mol. Its IUPAC name is 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine
PubChem CID12517930
Molecular FormulaC16H32N2S2
Molecular Weight316.58 g/mol
Exact Mass316.20
IUPAC Name3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine
SMILESCCC1C(C)SCCN1CCN1CCSC(C)C1CC
InChIInChI=1S/C16H32N2S2/c1-5-15-13(3)19-11-9-17(15)7-8-18-10-12-20-14(4)16(18)6-2/h13-16H,5-12H2,1-4H3
InChIKeyNDXXRHIMEPQKKA-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine 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 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine?
The IUPAC name of 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine (CID 12517930) is 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine.
What is the SMILES notation for 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine?
The canonical SMILES for 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine is CCC1C(C)SCCN1CCN1CCSC(C)C1CC.
What is the InChIKey of 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine?
The InChIKey is NDXXRHIMEPQKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S2/c1-5-15-13(3)19-11-9-17(15)7-8-18-10-12-20-14(4)16(18)6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine?
3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine has a molecular weight of 316.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(3-ethyl-2-methylthiomorpholin-4-yl)ethyl]-2-methylthiomorpholine is sourced from PubChem (CID 12517930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).