N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine

C16H28N4O4S+2 — CID 9280285

IUPACN-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NCCC[NH+]2CCOCC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C16H26N4O4S/c21-25(22,20-8-12-24-13-9-20)15-2-3-16(18-14-15)17-4-1-5-19-6-10-23-11-7-19/h2-3,14H,1,4-13H2,(H,17,18)/p+2
InChIKeyFCCLLXUZKMOPNF-UHFFFAOYSA-P
MW372.49 g/mol
LogP-1.76
Rot. Bonds7

About N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine

N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9280285) has the molecular formula C16H28N4O4S+2 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9280285
Molecular FormulaC16H28N4O4S+2
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NCCC[NH+]2CCOCC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C16H26N4O4S/c21-25(22,20-8-12-24-13-9-20)15-2-3-16(18-14-15)17-4-1-5-19-6-10-23-11-7-19/h2-3,14H,1,4-13H2,(H,17,18)/p+2
InChIKeyFCCLLXUZKMOPNF-UHFFFAOYSA-P
XLogP-1.76
TPSA86.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl-methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azanium
CID 9024165
N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9025296
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
CID 8567123
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 8565448
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9023744
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303
5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine
CID 9109319
[(1S)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium
CID 9107856
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722
4-morpholin-4-ylsulfonyl-2-nitro-N-pentylaniline
CID 40714555
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
N-[(1S)-1-(1-adamantyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9283334

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (CID 9280285) is N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is O=S(=O)(c1ccc(NCCC[NH+]2CCOCC2)[nH+]c1)N1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is FCCLLXUZKMOPNF-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N4O4S/c21-25(22,20-8-12-24-13-9-20)15-2-3-16(18-14-15)17-4-1-5-19-6-10-23-11-7-19/h2-3,14H,1,4-13H2,(H,17,18)/p+2.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 372.49 g/mol, XLogP of -1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9280285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).