4-methyl-3-morpholin-4-ylsulfonylaniline

C11H16N2O3S — CID 570632

IUPAC4-methyl-3-morpholin-4-ylsulfonylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H16N2O3S/c1-9-2-3-10(12)8-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyZDEUKHHQBDSQPP-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.60
Rot. Bonds2

About 4-methyl-3-morpholin-4-ylsulfonylaniline

4-methyl-3-morpholin-4-ylsulfonylaniline (PubChem CID 570632) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-ylsulfonylaniline
PubChem CID570632
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-3-morpholin-4-ylsulfonylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H16N2O3S/c1-9-2-3-10(12)8-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyZDEUKHHQBDSQPP-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of 4-methyl-3-morpholin-4-ylsulfonylaniline (CID 570632) is 4-methyl-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 4-methyl-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 4-methyl-3-morpholin-4-ylsulfonylaniline is Cc1ccc(N)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-3-morpholin-4-ylsulfonylaniline?
The InChIKey is ZDEUKHHQBDSQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-2-3-10(12)8-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 4-methyl-3-morpholin-4-ylsulfonylaniline?
4-methyl-3-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 4-methyl-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 570632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).