3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide

C13H21N3O3S — CID 60988371

IUPAC3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide
SMILESCCC1COC(C)CN1c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-3-11-8-19-9(2)7-16(11)12-4-10(14)5-13(6-12)20(15,17)18/h4-6,9,11H,3,7-8,14H2,1-2H3,(H2,15,17,18)
InChIKeyBSMJAXFPTUYNOP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.92
Rot. Bonds3

About 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide

3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide (PubChem CID 60988371) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide
PubChem CID60988371
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide
SMILESCCC1COC(C)CN1c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H21N3O3S/c1-3-11-8-19-9(2)7-16(11)12-4-10(14)5-13(6-12)20(15,17)18/h4-6,9,11H,3,7-8,14H2,1-2H3,(H2,15,17,18)
InChIKeyBSMJAXFPTUYNOP-UHFFFAOYSA-N
XLogP0.92
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide (CID 60988371) is 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide is CCC1COC(C)CN1c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide?
The InChIKey is BSMJAXFPTUYNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-11-8-19-9(2)7-16(11)12-4-10(14)5-13(6-12)20(15,17)18/h4-6,9,11H,3,7-8,14H2,1-2H3,(H2,15,17,18).
What are the key properties of 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide?
3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5-ethyl-2-methylmorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 60988371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).