4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile

C13H17N3O3S — CID 79676555

IUPAC4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
SMILESCCNc1ccccc1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H17N3O3S/c1-2-15-12-5-3-4-6-13(12)20(17,18)16-7-8-19-11(9-14)10-16/h3-6,11,15H,2,7-8,10H2,1H3
InChIKeyOIEJEMLMCNWSFT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.03
Rot. Bonds4

About 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile

4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile (PubChem CID 79676555) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
PubChem CID79676555
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile
SMILESCCNc1ccccc1S(=O)(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H17N3O3S/c1-2-15-12-5-3-4-6-13(12)20(17,18)16-7-8-19-11(9-14)10-16/h3-6,11,15H,2,7-8,10H2,1H3
InChIKeyOIEJEMLMCNWSFT-UHFFFAOYSA-N
XLogP1.03
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile?
The IUPAC name of 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile (CID 79676555) is 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile?
The canonical SMILES for 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile is CCNc1ccccc1S(=O)(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile?
The InChIKey is OIEJEMLMCNWSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-15-12-5-3-4-6-13(12)20(17,18)16-7-8-19-11(9-14)10-16/h3-6,11,15H,2,7-8,10H2,1H3.
What are the key properties of 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile?
4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile has a molecular weight of 295.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)phenyl]sulfonylmorpholine-2-carbonitrile is sourced from PubChem (CID 79676555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).