6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide

C15H26N3O3S+ — CID 7873205

IUPAC6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1
InChIInChI=1S/C15H25N3O3S/c1-5-18(6-2)22(19,20)14-7-8-15(16-9-14)17-10-12(3)21-13(4)11-17/h7-9,12-13H,5-6,10-11H2,1-4H3/p+1/t12-,13-/m1/s1
InChIKeyNRQALDOKOYDEEI-CHWSQXEVSA-O
MW328.46 g/mol
LogP1.14
Rot. Bonds5

About 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide (PubChem CID 7873205) has the molecular formula C15H26N3O3S+ and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound Name6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
PubChem CID7873205
Molecular FormulaC15H26N3O3S+
Molecular Weight328.46 g/mol
Exact Mass328.17
IUPAC Name6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1
InChIInChI=1S/C15H25N3O3S/c1-5-18(6-2)22(19,20)14-7-8-15(16-9-14)17-10-12(3)21-13(4)11-17/h7-9,12-13H,5-6,10-11H2,1-4H3/p+1/t12-,13-/m1/s1
InChIKeyNRQALDOKOYDEEI-CHWSQXEVSA-O
XLogP1.14
TPSA63.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide with MolForge

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Related Compounds

N,N-diethyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide
CID 7044022
6-[4-(2-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 9281715
N,N-diethyl-6-(3-oxopiperazin-1-yl)pyridin-1-ium-3-sulfonamide
CID 9113716
(2R,6S)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine
CID 7188368
(2R,6R)-2,6-dimethyl-4-(5-nitropyridin-1-ium-2-yl)morpholine
CID 7188372
N,N-diethyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-sulfonamide
CID 9186578
2-(2,6-dimethylmorpholin-4-yl)-N,N-diethyl-5-nitrobenzenesulfonamide
CID 42893649
4-[(E)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 7420193
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
4-(2-bromo-4-ethylsulfonylphenyl)-2,6-dimethylmorpholine
CID 169336359
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide
CID 3226861

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide?
The IUPAC name of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide (CID 7873205) is 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide.
What is the SMILES notation for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide?
The canonical SMILES for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1.
What is the InChIKey of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide?
The InChIKey is NRQALDOKOYDEEI-CHWSQXEVSA-O. The full InChI is InChI=1S/C15H25N3O3S/c1-5-18(6-2)22(19,20)14-7-8-15(16-9-14)17-10-12(3)21-13(4)11-17/h7-9,12-13H,5-6,10-11H2,1-4H3/p+1/t12-,13-/m1/s1.
What are the key properties of 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide?
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 7873205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).