6-methyl-1-oxidopyridin-1-ium-3-sulfonamide

C6H8N2O3S — CID 45080606

IUPAC6-methyl-1-oxidopyridin-1-ium-3-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)c[n+]1[O-]
InChIInChI=1S/C6H8N2O3S/c1-5-2-3-6(4-8(5)9)12(7,10)11/h2-4H,1H3,(H2,7,10,11)
InChIKeyLFOCQZZJAWCVIV-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.72
Rot. Bonds1

About 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide

6-methyl-1-oxidopyridin-1-ium-3-sulfonamide (PubChem CID 45080606) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound Name6-methyl-1-oxidopyridin-1-ium-3-sulfonamide
PubChem CID45080606
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name6-methyl-1-oxidopyridin-1-ium-3-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)c[n+]1[O-]
InChIInChI=1S/C6H8N2O3S/c1-5-2-3-6(4-8(5)9)12(7,10)11/h2-4H,1H3,(H2,7,10,11)
InChIKeyLFOCQZZJAWCVIV-UHFFFAOYSA-N
XLogP-0.72
TPSA87.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
1-oxidopyridin-1-ium-3-sulfonamide
CID 12684277
acetonitrile;4-methylbenzenesulfonamide
CID 67578872
(6-methyl-1-oxidopyridin-1-ium-3-yl)methanol
CID 131157545
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-bromobenzenesulfonamide;ethane
CID 143929211
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
p-t-Butylbenzenesulfonamide potassium
CID 66748434
CID 58685945
CID 58685945
CID 159358457
CID 159358457

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide?
The IUPAC name of 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide (CID 45080606) is 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide.
What is the SMILES notation for 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide?
The canonical SMILES for 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide is Cc1ccc(S(N)(=O)=O)c[n+]1[O-].
What is the InChIKey of 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide?
The InChIKey is LFOCQZZJAWCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-5-2-3-6(4-8(5)9)12(7,10)11/h2-4H,1H3,(H2,7,10,11).
What are the key properties of 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide?
6-methyl-1-oxidopyridin-1-ium-3-sulfonamide has a molecular weight of 188.21 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxidopyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 45080606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).