2-methyl-5-morpholin-4-ylsulfonylaniline

C11H16N2O3S — CID 3769949

IUPAC2-methyl-5-morpholin-4-ylsulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C11H16N2O3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyOGFHXMSWYWAUDF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.60
Rot. Bonds2

About 2-methyl-5-morpholin-4-ylsulfonylaniline

2-methyl-5-morpholin-4-ylsulfonylaniline (PubChem CID 3769949) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonylaniline
PubChem CID3769949
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-methyl-5-morpholin-4-ylsulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1N
InChIInChI=1S/C11H16N2O3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyOGFHXMSWYWAUDF-UHFFFAOYSA-N
XLogP0.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-morpholin-4-ylsulfonylaniline 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-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonylaniline (CID 3769949) is 2-methyl-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonylaniline is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1N.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonylaniline?
The InChIKey is OGFHXMSWYWAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonylaniline?
2-methyl-5-morpholin-4-ylsulfonylaniline has a molecular weight of 256.33 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3769949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).