4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile

C12H16N4O3S — CID 79675805

IUPAC4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
SMILESCCNc1ccc(S(=O)(=O)N2CCOC(C#N)C2)cn1
InChIInChI=1S/C12H16N4O3S/c1-2-14-12-4-3-11(8-15-12)20(17,18)16-5-6-19-10(7-13)9-16/h3-4,8,10H,2,5-6,9H2,1H3,(H,14,15)
InChIKeyGORIOWLLEZSBPF-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.43
Rot. Bonds4

About 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile

4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile (PubChem CID 79675805) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
PubChem CID79675805
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
SMILESCCNc1ccc(S(=O)(=O)N2CCOC(C#N)C2)cn1
InChIInChI=1S/C12H16N4O3S/c1-2-14-12-4-3-11(8-15-12)20(17,18)16-5-6-19-10(7-13)9-16/h3-4,8,10H,2,5-6,9H2,1H3,(H,14,15)
InChIKeyGORIOWLLEZSBPF-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

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Related Compounds

4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79671468
4-[[3-(ethylamino)-2-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 103306494
4-(2-chloropyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79674215
4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
CID 79676555
5-(2-ethylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62146457
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
4-(2-hydrazinylpyrimidin-5-yl)sulfonylmorpholine-2-carbonitrile
CID 79680999
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626896
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile (CID 79675805) is 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile is CCNc1ccc(S(=O)(=O)N2CCOC(C#N)C2)cn1.
What is the InChIKey of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
The InChIKey is GORIOWLLEZSBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-14-12-4-3-11(8-15-12)20(17,18)16-5-6-19-10(7-13)9-16/h3-4,8,10H,2,5-6,9H2,1H3,(H,14,15).
What are the key properties of 4-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile?
4-[[6-(ethylamino)-3-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-[[6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79675805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).