2-(thiomorpholin-4-ylmethyl)aniline

C11H16N2S — CID 28786619

IUPAC2-(thiomorpholin-4-ylmethyl)aniline
SMILESNc1ccccc1CN1CCSCC1
InChIInChI=1S/C11H16N2S/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKeyZAEZFXZNLSFHHF-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.82
Rot. Bonds2

About 2-(thiomorpholin-4-ylmethyl)aniline

2-(thiomorpholin-4-ylmethyl)aniline (PubChem CID 28786619) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(thiomorpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(thiomorpholin-4-ylmethyl)aniline
PubChem CID28786619
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(thiomorpholin-4-ylmethyl)aniline
SMILESNc1ccccc1CN1CCSCC1
InChIInChI=1S/C11H16N2S/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKeyZAEZFXZNLSFHHF-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(thiomorpholin-4-ylmethyl)aniline 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 2-(thiomorpholin-4-ylmethyl)aniline?
The IUPAC name of 2-(thiomorpholin-4-ylmethyl)aniline (CID 28786619) is 2-(thiomorpholin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(thiomorpholin-4-ylmethyl)aniline?
The canonical SMILES for 2-(thiomorpholin-4-ylmethyl)aniline is Nc1ccccc1CN1CCSCC1.
What is the InChIKey of 2-(thiomorpholin-4-ylmethyl)aniline?
The InChIKey is ZAEZFXZNLSFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2.
What are the key properties of 2-(thiomorpholin-4-ylmethyl)aniline?
2-(thiomorpholin-4-ylmethyl)aniline has a molecular weight of 208.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiomorpholin-4-ylmethyl)aniline is sourced from PubChem (CID 28786619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).