N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide

C12H19N3O3S — CID 54880810

IUPACN-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCOCC2)c(C)c1N
InChIInChI=1S/C12H19N3O3S/c1-9-3-4-11(10(2)12(9)13)14-19(16,17)15-5-7-18-8-6-15/h3-4,14H,5-8,13H2,1-2H3
InChIKeyMXMWLFSOHGZYPM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.87
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide

N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide (PubChem CID 54880810) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
PubChem CID54880810
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCOCC2)c(C)c1N
InChIInChI=1S/C12H19N3O3S/c1-9-3-4-11(10(2)12(9)13)14-19(16,17)15-5-7-18-8-6-15/h3-4,14H,5-8,13H2,1-2H3
InChIKeyMXMWLFSOHGZYPM-UHFFFAOYSA-N
XLogP0.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
N-(3-amino-2,6-dimethylphenyl)morpholine-4-sulfonamide
CID 28783497
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 62104142
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 60813412
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-(5-amino-3-methyl-2-pyridinyl)morpholine-4-sulfonamide
CID 112555542
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
CID 43606105
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide (CID 54880810) is N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCOCC2)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide?
The InChIKey is MXMWLFSOHGZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-3-4-11(10(2)12(9)13)14-19(16,17)15-5-7-18-8-6-15/h3-4,14H,5-8,13H2,1-2H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide?
N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 54880810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).