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

C18H30N3O4S+ — CID 9025296

IUPACN-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NCCCOC2CCCCC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C18H29N3O4S/c22-26(23,21-10-13-24-14-11-21)17-7-8-18(20-15-17)19-9-4-12-25-16-5-2-1-3-6-16/h7-8,15-16H,1-6,9-14H2,(H,19,20)/p+1
InChIKeyQJYBQTQVXFRSHO-UHFFFAOYSA-O
MW384.52 g/mol
LogP1.67
Rot. Bonds8

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

N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9025296) has the molecular formula C18H30N3O4S+ and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9025296
Molecular FormulaC18H30N3O4S+
Molecular Weight384.52 g/mol
Exact Mass384.20
IUPAC NameN-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESO=S(=O)(c1ccc(NCCCOC2CCCCC2)[nH+]c1)N1CCOCC1
InChIInChI=1S/C18H29N3O4S/c22-26(23,21-10-13-24-14-11-21)17-7-8-18(20-15-17)19-9-4-12-25-16-5-2-1-3-6-16/h7-8,15-16H,1-6,9-14H2,(H,19,20)/p+1
InChIKeyQJYBQTQVXFRSHO-UHFFFAOYSA-O
XLogP1.67
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ium-4-ylpropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9280285
benzyl-methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azanium
CID 9024165
N-[2-(4-methylphenyl)sulfanylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 8565448
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
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
CID 8567123
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9023744
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
CID 9453718
1-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 42936696
[(1S)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium
CID 9107856

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (CID 9025296) is N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is O=S(=O)(c1ccc(NCCCOC2CCCCC2)[nH+]c1)N1CCOCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is QJYBQTQVXFRSHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29N3O4S/c22-26(23,21-10-13-24-14-11-21)17-7-8-18(20-15-17)19-9-4-12-25-16-5-2-1-3-6-16/h7-8,15-16H,1-6,9-14H2,(H,19,20)/p+1.
What are the key properties of N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 384.52 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9025296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).