N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide

C12H20N2O4S — CID 24562403

IUPACN,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
SMILESCC(C)OCCn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H20N2O4S/c1-10(2)18-8-7-14-9-11(5-6-12(14)15)19(16,17)13(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyXHFZEGJSXAYCOI-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.52
Rot. Bonds6

About N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide

N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide (PubChem CID 24562403) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
PubChem CID24562403
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
SMILESCC(C)OCCn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H20N2O4S/c1-10(2)18-8-7-14-9-11(5-6-12(14)15)19(16,17)13(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyXHFZEGJSXAYCOI-UHFFFAOYSA-N
XLogP0.52
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide (CID 24562403) is N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide is CC(C)OCCn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
The InChIKey is XHFZEGJSXAYCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10(2)18-8-7-14-9-11(5-6-12(14)15)19(16,17)13(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 24562403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).