4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C13H21N3O3S — CID 4962821

IUPAC4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C13H21N3O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11,14H2
InChIKeyRSIYXJOWRJIOEC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.27
Rot. Bonds6

About 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 4962821) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID4962821
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C13H21N3O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11,14H2
InChIKeyRSIYXJOWRJIOEC-UHFFFAOYSA-N
XLogP0.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 4962821) is 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is RSIYXJOWRJIOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-12-2-4-13(5-3-12)20(17,18)15-6-1-7-16-8-10-19-11-9-16/h2-5,15H,1,6-11,14H2.
What are the key properties of 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 4962821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).