N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

C11H18N2O4S — CID 60959699

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-4-13(9(2)8-17-3)18(15,16)10-5-6-11(14)12-7-10/h5-7,9H,4,8H2,1-3H3,(H,12,14)
InChIKeyNTRYKDJNYBCMMP-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.42
Rot. Bonds6

About N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 60959699) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID60959699
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H18N2O4S/c1-4-13(9(2)8-17-3)18(15,16)10-5-6-11(14)12-7-10/h5-7,9H,4,8H2,1-3H3,(H,12,14)
InChIKeyNTRYKDJNYBCMMP-UHFFFAOYSA-N
XLogP0.42
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 60959699) is N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is CCN(C(C)COC)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is NTRYKDJNYBCMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-4-13(9(2)8-17-3)18(15,16)10-5-6-11(14)12-7-10/h5-7,9H,4,8H2,1-3H3,(H,12,14).
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60959699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).