4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine

C14H22N3O3S+ — CID 9196183

IUPAC4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(N2CCCCC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C14H21N3O3S/c18-21(19,17-8-10-20-11-9-17)13-4-5-14(15-12-13)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2/p+1
InChIKeyIIBSVTDDRLUKDY-UHFFFAOYSA-O
MW312.42 g/mol
LogP0.51
Rot. Bonds3

About 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine

4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine (PubChem CID 9196183) has the molecular formula C14H22N3O3S+ and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
PubChem CID9196183
Molecular FormulaC14H22N3O3S+
Molecular Weight312.42 g/mol
Exact Mass312.14
IUPAC Name4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(N2CCCCC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C14H21N3O3S/c18-21(19,17-8-10-20-11-9-17)13-4-5-14(15-12-13)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2/p+1
InChIKeyIIBSVTDDRLUKDY-UHFFFAOYSA-O
XLogP0.51
TPSA63.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-yl-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 9196184
4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9281205
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
CID 2450884
2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol
CID 9282203
4-[6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9172535
N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide
CID 6927976
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 2118390
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722

Frequently Asked Questions

What is the IUPAC name of 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine?
The IUPAC name of 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine (CID 9196183) is 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine?
The canonical SMILES for 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine is O=S(=O)(c1ccc(N2CCCCC2)[nH+]c1)N1CCOCC1.
What is the InChIKey of 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine?
The InChIKey is IIBSVTDDRLUKDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O3S/c18-21(19,17-8-10-20-11-9-17)13-4-5-14(15-12-13)16-6-2-1-3-7-16/h4-5,12H,1-3,6-11H2/p+1.
What are the key properties of 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine?
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine has a molecular weight of 312.42 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine is sourced from PubChem (CID 9196183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).