5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine

C17H30N4O3S+2 — CID 8567123

IUPAC5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
SMILESCCC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)c[nH+]2)CC1
InChIInChI=1S/C17H28N4O3S/c1-2-7-20-8-5-15(6-9-20)19-17-4-3-16(14-18-17)25(22,23)21-10-12-24-13-11-21/h3-4,14-15H,2,5-13H2,1H3,(H,18,19)/p+2
InChIKeyXWPMBUYQJXSGNA-UHFFFAOYSA-P
MW370.52 g/mol
LogP-0.61
Rot. Bonds6

About 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine

5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine (PubChem CID 8567123) has the molecular formula C17H30N4O3S+2 and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
PubChem CID8567123
Molecular FormulaC17H30N4O3S+2
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
SMILESCCC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)c[nH+]2)CC1
InChIInChI=1S/C17H28N4O3S/c1-2-7-20-8-5-15(6-9-20)19-17-4-3-16(14-18-17)25(22,23)21-10-12-24-13-11-21/h3-4,14-15H,2,5-13H2,1H3,(H,18,19)/p+2
InChIKeyXWPMBUYQJXSGNA-UHFFFAOYSA-P
XLogP-0.61
TPSA77.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9280285
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722
N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9025296
5-morpholin-4-ylsulfonyl-N-[(1S)-1-thiophen-2-ylethyl]pyridin-1-ium-2-amine
CID 9109319
benzyl-methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azanium
CID 9024165
N-[(1S)-1-(1-adamantyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9283334
1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium
CID 4756116
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 8565448
[(1S)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium
CID 9107856
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine (CID 8567123) is 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine is CCC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)c[nH+]2)CC1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine?
The InChIKey is XWPMBUYQJXSGNA-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H28N4O3S/c1-2-7-20-8-5-15(6-9-20)19-17-4-3-16(14-18-17)25(22,23)21-10-12-24-13-11-21/h3-4,14-15H,2,5-13H2,1H3,(H,18,19)/p+2.
What are the key properties of 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine?
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine has a molecular weight of 370.52 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine is sourced from PubChem (CID 8567123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).