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

C12H16N4O3S — CID 119040225

IUPAC4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile
SMILESCN(C)c1ccc(S(=O)(=O)N2CCOCC2C#N)cn1
InChIInChI=1S/C12H16N4O3S/c1-15(2)12-4-3-11(8-14-12)20(17,18)16-5-6-19-9-10(16)7-13/h3-4,8,10H,5-6,9H2,1-2H3
InChIKeyOAXSIBWCOIQSPC-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.06
Rot. Bonds3

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

4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile (PubChem CID 119040225) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile
PubChem CID119040225
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile
SMILESCN(C)c1ccc(S(=O)(=O)N2CCOCC2C#N)cn1
InChIInChI=1S/C12H16N4O3S/c1-15(2)12-4-3-11(8-14-12)20(17,18)16-5-6-19-9-10(16)7-13/h3-4,8,10H,5-6,9H2,1-2H3
InChIKeyOAXSIBWCOIQSPC-UHFFFAOYSA-N
XLogP0.06
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile?
The IUPAC name of 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile (CID 119040225) is 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile is CN(C)c1ccc(S(=O)(=O)N2CCOCC2C#N)cn1.
What is the InChIKey of 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile?
The InChIKey is OAXSIBWCOIQSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-15(2)12-4-3-11(8-14-12)20(17,18)16-5-6-19-9-10(16)7-13/h3-4,8,10H,5-6,9H2,1-2H3.
What are the key properties of 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile?
4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]morpholine-3-carbonitrile is sourced from PubChem (CID 119040225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).