4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile

C12H16N4O3S — CID 103306494

IUPAC4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
SMILESCCNc1cccnc1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H16N4O3S/c1-2-14-11-4-3-5-15-12(11)20(17,18)16-6-7-19-10(8-13)9-16/h3-5,10,14H,2,6-7,9H2,1H3
InChIKeyGIGTYHWJJDGJGM-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.43
Rot. Bonds4

About 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile

4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile (PubChem CID 103306494) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
PubChem CID103306494
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
SMILESCCNc1cccnc1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C12H16N4O3S/c1-2-14-11-4-3-5-15-12(11)20(17,18)16-6-7-19-10(8-13)9-16/h3-5,10,14H,2,6-7,9H2,1H3
InChIKeyGIGTYHWJJDGJGM-UHFFFAOYSA-N
XLogP0.43
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
CID 79676555
4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79675805
N-ethyl-2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103307176
N-ethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-3-amine
CID 103306417
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-ethylpyridin-3-amine
CID 103305199
N-methyl-2-(2-methylmorpholin-4-yl)sulfonylpyridin-3-amine
CID 103303771
2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103307057
4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79671468
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 103306627
N-ethyl-2-(2-methylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103302961
2-(2,5-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-3-amine
CID 103306376
2-(3-methylpiperidin-1-yl)sulfonyl-N-propylpyridin-3-amine
CID 103303754

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile (CID 103306494) is 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile is CCNc1cccnc1S(=O)(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The InChIKey is GIGTYHWJJDGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-14-11-4-3-5-15-12(11)20(17,18)16-6-7-19-10(8-13)9-16/h3-5,10,14H,2,6-7,9H2,1H3.
What are the key properties of 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 103306494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).