3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide

C12H19N3O4S — CID 86265567

IUPAC3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
SMILESCc1cc(OC2CN(S(=O)(=O)N(C)C)C2)cc(=O)n1C
InChIInChI=1S/C12H19N3O4S/c1-9-5-10(6-12(16)14(9)4)19-11-7-15(8-11)20(17,18)13(2)3/h5-6,11H,7-8H2,1-4H3
InChIKeyJEFLWTSIVXXGIS-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.44
Rot. Bonds4

About 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide

3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide (PubChem CID 86265567) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
PubChem CID86265567
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide
SMILESCc1cc(OC2CN(S(=O)(=O)N(C)C)C2)cc(=O)n1C
InChIInChI=1S/C12H19N3O4S/c1-9-5-10(6-12(16)14(9)4)19-11-7-15(8-11)20(17,18)13(2)3/h5-6,11H,7-8H2,1-4H3
InChIKeyJEFLWTSIVXXGIS-UHFFFAOYSA-N
XLogP-0.44
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
The IUPAC name of 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide (CID 86265567) is 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide.
What is the SMILES notation for 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
The canonical SMILES for 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide is Cc1cc(OC2CN(S(=O)(=O)N(C)C)C2)cc(=O)n1C.
What is the InChIKey of 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
The InChIKey is JEFLWTSIVXXGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-5-10(6-12(16)14(9)4)19-11-7-15(8-11)20(17,18)13(2)3/h5-6,11H,7-8H2,1-4H3.
What are the key properties of 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide?
3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]-N,N-dimethylazetidine-1-sulfonamide is sourced from PubChem (CID 86265567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).