4-morpholin-4-ylsulfinylaniline

C10H14N2O2S — CID 82473587

IUPAC4-morpholin-4-ylsulfinylaniline
SMILESNc1ccc(S(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-1-3-10(4-2-9)15(13)12-5-7-14-8-6-12/h1-4H,5-8,11H2
InChIKeySLNIMOJPGAHXCL-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.62
Rot. Bonds2

About 4-morpholin-4-ylsulfinylaniline

4-morpholin-4-ylsulfinylaniline (PubChem CID 82473587) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfinylaniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfinylaniline
PubChem CID82473587
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-morpholin-4-ylsulfinylaniline
SMILESNc1ccc(S(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-1-3-10(4-2-9)15(13)12-5-7-14-8-6-12/h1-4H,5-8,11H2
InChIKeySLNIMOJPGAHXCL-UHFFFAOYSA-N
XLogP0.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfinylaniline?
The IUPAC name of 4-morpholin-4-ylsulfinylaniline (CID 82473587) is 4-morpholin-4-ylsulfinylaniline.
What is the SMILES notation for 4-morpholin-4-ylsulfinylaniline?
The canonical SMILES for 4-morpholin-4-ylsulfinylaniline is Nc1ccc(S(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfinylaniline?
The InChIKey is SLNIMOJPGAHXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-1-3-10(4-2-9)15(13)12-5-7-14-8-6-12/h1-4H,5-8,11H2.
What are the key properties of 4-morpholin-4-ylsulfinylaniline?
4-morpholin-4-ylsulfinylaniline has a molecular weight of 226.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfinylaniline is sourced from PubChem (CID 82473587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).