N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide

C12H19N3O4S — CID 114401039

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C12H19N3O4S/c1-2-15-5-6-19-10(9-15)7-14-20(17,18)12-8-13-4-3-11(12)16/h3-4,8,10,14H,2,5-7,9H2,1H3,(H,13,16)
InChIKeyONUSRQGJTLJEDF-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.63
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide

N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114401039) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
PubChem CID114401039
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C12H19N3O4S/c1-2-15-5-6-19-10(9-15)7-14-20(17,18)12-8-13-4-3-11(12)16/h3-4,8,10,14H,2,5-7,9H2,1H3,(H,13,16)
InChIKeyONUSRQGJTLJEDF-UHFFFAOYSA-N
XLogP-0.63
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
N-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 114401404
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085721

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide (CID 114401039) is N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is CCN1CCOC(CNS(=O)(=O)c2c[nH]ccc2=O)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is ONUSRQGJTLJEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-15-5-6-19-10(9-15)7-14-20(17,18)12-8-13-4-3-11(12)16/h3-4,8,10,14H,2,5-7,9H2,1H3,(H,13,16).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide?
N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114401039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).