1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide

C13H24N4O3S — CID 56749618

IUPAC1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCN1CCOC(CCNS(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C13H24N4O3S/c1-3-16-7-8-20-12(10-16)5-6-15-21(18,19)13-9-14-17(4-2)11-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyVWONHVCLMNNPGR-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.29
Rot. Bonds7

About 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 56749618) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID56749618
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCN1CCOC(CCNS(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C13H24N4O3S/c1-3-16-7-8-20-12(10-16)5-6-15-21(18,19)13-9-14-17(4-2)11-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyVWONHVCLMNNPGR-UHFFFAOYSA-N
XLogP0.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-ethylmorpholin-2-yl]-N-methylethanamine
CID 94133449
N-[2-[4-[(2-ethylphenyl)methyl]morpholin-2-yl]ethyl]methanesulfonamide
CID 56754754
2-[(2R)-4-ethylmorpholin-2-yl]-N-methylethanamine;molecular hydrogen
CID 169214323
4-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709964
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 91911666
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 114399151
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-methylpropan-2-amine
CID 162424315
4-ethyl-2-propylmorpholine
CID 127673597
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide (CID 56749618) is 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide is CCN1CCOC(CCNS(=O)(=O)c2cnn(CC)c2)C1.
What is the InChIKey of 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is VWONHVCLMNNPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-16-7-8-20-12(10-16)5-6-15-21(18,19)13-9-14-17(4-2)11-13/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-ethylmorpholin-2-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56749618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).