4-thiomorpholin-4-ylaniline

C10H14N2S — CID 10774206

IUPAC4-thiomorpholin-4-ylaniline
SMILESNc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H14N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
InChIKeyRQXQMUUSQGCLPL-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.82
Rot. Bonds1

About 4-thiomorpholin-4-ylaniline

4-thiomorpholin-4-ylaniline (PubChem CID 10774206) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylaniline.

Molecular Properties

Compound Name4-thiomorpholin-4-ylaniline
PubChem CID10774206
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-thiomorpholin-4-ylaniline
SMILESNc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C10H14N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
InChIKeyRQXQMUUSQGCLPL-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.82
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylaniline?
The IUPAC name of 4-thiomorpholin-4-ylaniline (CID 10774206) is 4-thiomorpholin-4-ylaniline.
What is the SMILES notation for 4-thiomorpholin-4-ylaniline?
The canonical SMILES for 4-thiomorpholin-4-ylaniline is Nc1ccc(N2CCSCC2)cc1.
What is the InChIKey of 4-thiomorpholin-4-ylaniline?
The InChIKey is RQXQMUUSQGCLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2.
What are the key properties of 4-thiomorpholin-4-ylaniline?
4-thiomorpholin-4-ylaniline has a molecular weight of 194.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylaniline is sourced from PubChem (CID 10774206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).