2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide

C14H23N3O3S — CID 80640866

IUPAC2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)OC(C)(C)C2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-10-8-17(9-14(2,3)20-10)11-5-6-13(12(15)7-11)21(18,19)16-4/h5-7,10,16H,8-9,15H2,1-4H3
InChIKeyAMSSLEINHLRSMT-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide

2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide (PubChem CID 80640866) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
PubChem CID80640866
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CC(C)OC(C)(C)C2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-10-8-17(9-14(2,3)20-10)11-5-6-13(12(15)7-11)21(18,19)16-4/h5-7,10,16H,8-9,15H2,1-4H3
InChIKeyAMSSLEINHLRSMT-UHFFFAOYSA-N
XLogP1.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.18
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 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide (CID 80640866) is 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CC(C)OC(C)(C)C2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide?
The InChIKey is AMSSLEINHLRSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-8-17(9-14(2,3)20-10)11-5-6-13(12(15)7-11)21(18,19)16-4/h5-7,10,16H,8-9,15H2,1-4H3.
What are the key properties of 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide?
2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 80640866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).