N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide

C13H21N3O3S — CID 22569549

IUPACN-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O3S/c1-20(17,18)16(13-4-2-12(14)3-5-13)7-6-15-8-10-19-11-9-15/h2-5H,6-11,14H2,1H3
InChIKeyJKZOYHKRETUJPU-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.37
Rot. Bonds5

About N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide

N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 22569549) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID22569549
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O3S/c1-20(17,18)16(13-4-2-12(14)3-5-13)7-6-15-8-10-19-11-9-15/h2-5H,6-11,14H2,1H3
InChIKeyJKZOYHKRETUJPU-UHFFFAOYSA-N
XLogP0.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 22569549) is N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide is CS(=O)(=O)N(CCN1CCOCC1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is JKZOYHKRETUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-20(17,18)16(13-4-2-12(14)3-5-13)7-6-15-8-10-19-11-9-15/h2-5H,6-11,14H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 22569549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).