2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide

C13H21N3O3S — CID 43604137

IUPAC2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
SMILESCNc1ccc(NS(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C13H21N3O3S/c1-10-8-16(9-11(2)19-10)20(17,18)15-13-6-4-12(14-3)5-7-13/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyNBVQIASAGDOKMA-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.49
Rot. Bonds4

About 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide

2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide (PubChem CID 43604137) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
PubChem CID43604137
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
SMILESCNc1ccc(NS(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C13H21N3O3S/c1-10-8-16(9-11(2)19-10)20(17,18)15-13-6-4-12(14-3)5-7-13/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyNBVQIASAGDOKMA-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide (CID 43604137) is 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide is CNc1ccc(NS(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide?
The InChIKey is NBVQIASAGDOKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-8-16(9-11(2)19-10)20(17,18)15-13-6-4-12(14-3)5-7-13/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide?
2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 43604137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).