3-ethyl-2-methylthiomorpholine-4-carbaldehyde

C8H15NOS — CID 19848504

IUPAC3-ethyl-2-methylthiomorpholine-4-carbaldehyde
SMILESCCC1C(C)SCCN1C=O
InChIInChI=1S/C8H15NOS/c1-3-8-7(2)11-5-4-9(8)6-10/h6-8H,3-5H2,1-2H3
InChIKeyTWIDWPCHVDVSOS-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.36
Rot. Bonds2

About 3-ethyl-2-methylthiomorpholine-4-carbaldehyde

3-ethyl-2-methylthiomorpholine-4-carbaldehyde (PubChem CID 19848504) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3-ethyl-2-methylthiomorpholine-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2-methylthiomorpholine-4-carbaldehyde
PubChem CID19848504
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3-ethyl-2-methylthiomorpholine-4-carbaldehyde
SMILESCCC1C(C)SCCN1C=O
InChIInChI=1S/C8H15NOS/c1-3-8-7(2)11-5-4-9(8)6-10/h6-8H,3-5H2,1-2H3
InChIKeyTWIDWPCHVDVSOS-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-ethyl-2-methylthiomorpholine-4-carbaldehyde 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-2-methylthiomorpholine-4-carbaldehyde?
The IUPAC name of 3-ethyl-2-methylthiomorpholine-4-carbaldehyde (CID 19848504) is 3-ethyl-2-methylthiomorpholine-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-2-methylthiomorpholine-4-carbaldehyde?
The canonical SMILES for 3-ethyl-2-methylthiomorpholine-4-carbaldehyde is CCC1C(C)SCCN1C=O.
What is the InChIKey of 3-ethyl-2-methylthiomorpholine-4-carbaldehyde?
The InChIKey is TWIDWPCHVDVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-3-8-7(2)11-5-4-9(8)6-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-methylthiomorpholine-4-carbaldehyde?
3-ethyl-2-methylthiomorpholine-4-carbaldehyde has a molecular weight of 173.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylthiomorpholine-4-carbaldehyde is sourced from PubChem (CID 19848504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).