2-methyl-4-thiomorpholin-4-ylaniline

C11H16N2S — CID 43436182

IUPAC2-methyl-4-thiomorpholin-4-ylaniline
SMILESCc1cc(N2CCSCC2)ccc1N
InChIInChI=1S/C11H16N2S/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyXEJNWQFAOCDDTQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.13
Rot. Bonds1

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

2-methyl-4-thiomorpholin-4-ylaniline (PubChem CID 43436182) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-4-thiomorpholin-4-ylaniline.

Molecular Properties

Compound Name2-methyl-4-thiomorpholin-4-ylaniline
PubChem CID43436182
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-methyl-4-thiomorpholin-4-ylaniline
SMILESCc1cc(N2CCSCC2)ccc1N
InChIInChI=1S/C11H16N2S/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyXEJNWQFAOCDDTQ-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiomorpholin-4-ylaniline?
The IUPAC name of 2-methyl-4-thiomorpholin-4-ylaniline (CID 43436182) is 2-methyl-4-thiomorpholin-4-ylaniline.
What is the SMILES notation for 2-methyl-4-thiomorpholin-4-ylaniline?
The canonical SMILES for 2-methyl-4-thiomorpholin-4-ylaniline is Cc1cc(N2CCSCC2)ccc1N.
What is the InChIKey of 2-methyl-4-thiomorpholin-4-ylaniline?
The InChIKey is XEJNWQFAOCDDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-methyl-4-thiomorpholin-4-ylaniline?
2-methyl-4-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-4-thiomorpholin-4-ylaniline is sourced from PubChem (CID 43436182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).