N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H19N3O4S — CID 114401040

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H19N3O4S/c1-2-15-5-6-19-10(9-15)7-14-20(17,18)11-3-4-12(16)13-8-11/h3-4,8,10,14H,2,5-7,9H2,1H3,(H,13,16)
InChIKeyYVCUEJJXKNHWML-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.63
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 114401040) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID114401040
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H19N3O4S/c1-2-15-5-6-19-10(9-15)7-14-20(17,18)11-3-4-12(16)13-8-11/h3-4,8,10,14H,2,5-7,9H2,1H3,(H,13,16)
InChIKeyYVCUEJJXKNHWML-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]-4-oxo-1H-pyridine-3-sulfonamide
CID 114401039
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 114401040) is N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is CCN1CCOC(CNS(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YVCUEJJXKNHWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-15-5-6-19-10(9-15)7-14-20(17,18)11-3-4-12(16)13-8-11/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]-6-oxo-1H-pyridine-3-sulfonamide?
N-[(4-ethylmorpholin-2-yl)methyl]-6-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]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 114401040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).