4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine

C10H14N2O4S — CID 69166222

IUPAC4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine
SMILESCc1c[n+]([O-])ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H14N2O4S/c1-9-8-11(13)3-2-10(9)17(14,15)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3
InChIKeyLSXYABYGBRSAHL-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.35
Rot. Bonds2

About 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine

4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine (PubChem CID 69166222) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine
PubChem CID69166222
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine
SMILESCc1c[n+]([O-])ccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H14N2O4S/c1-9-8-11(13)3-2-10(9)17(14,15)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3
InChIKeyLSXYABYGBRSAHL-UHFFFAOYSA-N
XLogP-0.35
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(1,4,7-dioxazonan-7-ylsulfonyl)-3-methylbenzoic acid
CID 166273277
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
3-methyl-4-morpholin-4-ylsulfonylbenzenecarbothioamide
CID 106997470
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
4-(2,3-dimethyl-5-propan-2-ylphenyl)sulfonylmorpholine;ethane;methane
CID 176665368
(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-morpholin-4-ylsulfonylphenol
CID 79020270

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine (CID 69166222) is 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine is Cc1c[n+]([O-])ccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine?
The InChIKey is LSXYABYGBRSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-9-8-11(13)3-2-10(9)17(14,15)12-4-6-16-7-5-12/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine?
4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine has a molecular weight of 258.30 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-oxidopyridin-1-ium-4-yl)sulfonylmorpholine is sourced from PubChem (CID 69166222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).