2-methyl-6-thiomorpholin-4-ylaniline

C11H16N2S — CID 67763024

IUPAC2-methyl-6-thiomorpholin-4-ylaniline
SMILESCc1cccc(N2CCSCC2)c1N
InChIInChI=1S/C11H16N2S/c1-9-3-2-4-10(11(9)12)13-5-7-14-8-6-13/h2-4H,5-8,12H2,1H3
InChIKeyJFYCJIXKLLSYRV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.13
Rot. Bonds1

About 2-methyl-6-thiomorpholin-4-ylaniline

2-methyl-6-thiomorpholin-4-ylaniline (PubChem CID 67763024) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-6-thiomorpholin-4-ylaniline.

Molecular Properties

Compound Name2-methyl-6-thiomorpholin-4-ylaniline
PubChem CID67763024
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-methyl-6-thiomorpholin-4-ylaniline
SMILESCc1cccc(N2CCSCC2)c1N
InChIInChI=1S/C11H16N2S/c1-9-3-2-4-10(11(9)12)13-5-7-14-8-6-13/h2-4H,5-8,12H2,1H3
InChIKeyJFYCJIXKLLSYRV-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-thiomorpholin-4-ylaniline 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-methyl-6-thiomorpholin-4-ylaniline?
The IUPAC name of 2-methyl-6-thiomorpholin-4-ylaniline (CID 67763024) is 2-methyl-6-thiomorpholin-4-ylaniline.
What is the SMILES notation for 2-methyl-6-thiomorpholin-4-ylaniline?
The canonical SMILES for 2-methyl-6-thiomorpholin-4-ylaniline is Cc1cccc(N2CCSCC2)c1N.
What is the InChIKey of 2-methyl-6-thiomorpholin-4-ylaniline?
The InChIKey is JFYCJIXKLLSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-3-2-4-10(11(9)12)13-5-7-14-8-6-13/h2-4H,5-8,12H2,1H3.
What are the key properties of 2-methyl-6-thiomorpholin-4-ylaniline?
2-methyl-6-thiomorpholin-4-ylaniline has a molecular weight of 208.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thiomorpholin-4-ylaniline is sourced from PubChem (CID 67763024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).