4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine

C17H18N3O3S+ — CID 5081633

IUPAC4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2c[n+]3ccccc3[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C17H17N3O3S/c21-24(22,20-9-11-23-12-10-20)15-6-4-14(5-7-15)16-13-19-8-2-1-3-17(19)18-16/h1-8,13H,9-12H2/p+1
InChIKeyFAHVTMMXGGKBGO-UHFFFAOYSA-O
MW344.42 g/mol
LogP1.44
Rot. Bonds3

About 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine

4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine (PubChem CID 5081633) has the molecular formula C17H18N3O3S+ and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine
PubChem CID5081633
Molecular FormulaC17H18N3O3S+
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2c[n+]3ccccc3[nH]2)cc1)N1CCOCC1
InChIInChI=1S/C17H17N3O3S/c21-24(22,20-9-11-23-12-10-20)15-6-4-14(5-7-15)16-13-19-8-2-1-3-17(19)18-16/h1-8,13H,9-12H2/p+1
InChIKeyFAHVTMMXGGKBGO-UHFFFAOYSA-O
XLogP1.44
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
4-(4-ethenylphenyl)sulfonylmorpholine
CID 175115555
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)aniline
CID 110454136
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039
N-benzhydryl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1168367

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine (CID 5081633) is 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2c[n+]3ccccc3[nH]2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine?
The InChIKey is FAHVTMMXGGKBGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17N3O3S/c21-24(22,20-9-11-23-12-10-20)15-6-4-14(5-7-15)16-13-19-8-2-1-3-17(19)18-16/h1-8,13H,9-12H2/p+1.
What are the key properties of 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine?
4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine has a molecular weight of 344.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 5081633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).