5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile

C13H17N3O3S — CID 115602772

IUPAC5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CN(S(=O)(=O)c2ccc(C#N)nc2)CC(C)(C)O1
InChIInChI=1S/C13H17N3O3S/c1-10-8-16(9-13(2,3)19-10)20(17,18)12-5-4-11(6-14)15-7-12/h4-5,7,10H,8-9H2,1-3H3
InChIKeyJDCNMNXTNGKCIT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.14
Rot. Bonds2

About 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile

5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile (PubChem CID 115602772) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
PubChem CID115602772
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
SMILESCC1CN(S(=O)(=O)c2ccc(C#N)nc2)CC(C)(C)O1
InChIInChI=1S/C13H17N3O3S/c1-10-8-16(9-13(2,3)19-10)20(17,18)12-5-4-11(6-14)15-7-12/h4-5,7,10H,8-9H2,1-3H3
InChIKeyJDCNMNXTNGKCIT-UHFFFAOYSA-N
XLogP1.14
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
CID 64608987
4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629637
3-chloro-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64602066
2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47429921
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
2-[1-[(6-cyano-3-pyridinyl)sulfonyl]azetidin-3-yl]propanoic acid
CID 114612973
5-(4-aminopiperidin-1-yl)sulfonylpyridine-2-carbonitrile
CID 113296343
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2,2,6-trimethylmorpholine
CID 48629728

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The IUPAC name of 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile (CID 115602772) is 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The canonical SMILES for 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile is CC1CN(S(=O)(=O)c2ccc(C#N)nc2)CC(C)(C)O1.
What is the InChIKey of 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
The InChIKey is JDCNMNXTNGKCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-8-16(9-13(2,3)19-10)20(17,18)12-5-4-11(6-14)15-7-12/h4-5,7,10H,8-9H2,1-3H3.
What are the key properties of 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile?
5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile has a molecular weight of 295.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile is sourced from PubChem (CID 115602772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).