N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide

C15H24N3O3S+ — CID 6927976

IUPACN-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C15H23N3O3S/c19-22(20,17-13-4-2-1-3-5-13)14-6-7-15(16-12-14)18-8-10-21-11-9-18/h6-7,12-13,17H,1-5,8-11H2/p+1
InChIKeyUKKTXTQPAGZBIV-UHFFFAOYSA-O
MW326.44 g/mol
LogP0.95
Rot. Bonds4

About N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide

N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide (PubChem CID 6927976) has the molecular formula C15H24N3O3S+ and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide
PubChem CID6927976
Molecular FormulaC15H24N3O3S+
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC NameN-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(N2CCOCC2)[nH+]c1
InChIInChI=1S/C15H23N3O3S/c19-22(20,17-13-4-2-1-3-5-13)14-6-7-15(16-12-14)18-8-10-21-11-9-18/h6-7,12-13,17H,1-5,8-11H2/p+1
InChIKeyUKKTXTQPAGZBIV-UHFFFAOYSA-O
XLogP0.95
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cyclohexyl-4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxybenzenesulfonamide
CID 92513123
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonylamino]cyclohexyl]carbamic acid
CID 174214991
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
CID 17139394
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide?
The IUPAC name of N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide (CID 6927976) is N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(N2CCOCC2)[nH+]c1.
What is the InChIKey of N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide?
The InChIKey is UKKTXTQPAGZBIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O3S/c19-22(20,17-13-4-2-1-3-5-13)14-6-7-15(16-12-14)18-8-10-21-11-9-18/h6-7,12-13,17H,1-5,8-11H2/p+1.
What are the key properties of N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide?
N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-morpholin-4-ylpyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 6927976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).