N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine

C18H24N3O4S+ — CID 9113165

IUPACN-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
SMILESCN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1
InChIInChI=1S/C18H23N3O4S/c1-20(9-14-25-16-5-3-2-4-6-16)18-8-7-17(15-19-18)26(22,23)21-10-12-24-13-11-21/h2-8,15H,9-14H2,1H3/p+1
InChIKeyOZKNTXXPSJHKJU-UHFFFAOYSA-O
MW378.47 g/mol
LogP1.04
Rot. Bonds7

About N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine

N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine (PubChem CID 9113165) has the molecular formula C18H24N3O4S+ and a molecular weight of 378.47 g/mol. Its IUPAC name is N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
PubChem CID9113165
Molecular FormulaC18H24N3O4S+
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
SMILESCN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1
InChIInChI=1S/C18H23N3O4S/c1-20(9-14-25-16-5-3-2-4-6-16)18-8-7-17(15-19-18)26(22,23)21-10-12-24-13-11-21/h2-8,15H,9-14H2,1H3/p+1
InChIKeyOZKNTXXPSJHKJU-UHFFFAOYSA-O
XLogP1.04
TPSA73.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
CID 18093981
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9195406
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55829731
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 24508348
N-[(4-ethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9113349
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine?
The IUPAC name of N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine (CID 9113165) is N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine.
What is the SMILES notation for N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine?
The canonical SMILES for N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine is CN(CCOc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1.
What is the InChIKey of N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine?
The InChIKey is OZKNTXXPSJHKJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O4S/c1-20(9-14-25-16-5-3-2-4-6-16)18-8-7-17(15-19-18)26(22,23)21-10-12-24-13-11-21/h2-8,15H,9-14H2,1H3/p+1.
What are the key properties of N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine?
N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine has a molecular weight of 378.47 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine is sourced from PubChem (CID 9113165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).