3-cyclopropyl-5-ethyl-2-methylthiomorpholine

C10H19NS — CID 66227956

IUPAC3-cyclopropyl-5-ethyl-2-methylthiomorpholine
SMILESCCC1CSC(C)C(C2CC2)N1
InChIInChI=1S/C10H19NS/c1-3-9-6-12-7(2)10(11-9)8-4-5-8/h7-11H,3-6H2,1-2H3
InChIKeyJEIKWSCHXGOORZ-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds2

About 3-cyclopropyl-5-ethyl-2-methylthiomorpholine

3-cyclopropyl-5-ethyl-2-methylthiomorpholine (PubChem CID 66227956) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethyl-2-methylthiomorpholine.

Molecular Properties

Compound Name3-cyclopropyl-5-ethyl-2-methylthiomorpholine
PubChem CID66227956
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-cyclopropyl-5-ethyl-2-methylthiomorpholine
SMILESCCC1CSC(C)C(C2CC2)N1
InChIInChI=1S/C10H19NS/c1-3-9-6-12-7(2)10(11-9)8-4-5-8/h7-11H,3-6H2,1-2H3
InChIKeyJEIKWSCHXGOORZ-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-5-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-cyclopropyl-5-ethyl-2-methylthiomorpholine?
The IUPAC name of 3-cyclopropyl-5-ethyl-2-methylthiomorpholine (CID 66227956) is 3-cyclopropyl-5-ethyl-2-methylthiomorpholine.
What is the SMILES notation for 3-cyclopropyl-5-ethyl-2-methylthiomorpholine?
The canonical SMILES for 3-cyclopropyl-5-ethyl-2-methylthiomorpholine is CCC1CSC(C)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-5-ethyl-2-methylthiomorpholine?
The InChIKey is JEIKWSCHXGOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-9-6-12-7(2)10(11-9)8-4-5-8/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-ethyl-2-methylthiomorpholine?
3-cyclopropyl-5-ethyl-2-methylthiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethyl-2-methylthiomorpholine is sourced from PubChem (CID 66227956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).