2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile

C11H13N3O4S — CID 53170588

IUPAC2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(S(=O)(=O)N2CCOCC2)ccc1=O
InChIInChI=1S/C11H13N3O4S/c12-3-4-13-9-10(1-2-11(13)15)19(16,17)14-5-7-18-8-6-14/h1-2,9H,4-8H2
InChIKeyGMQHAMXTHFXOSG-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.61
Rot. Bonds3

About 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile

2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 53170588) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile
PubChem CID53170588
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(S(=O)(=O)N2CCOCC2)ccc1=O
InChIInChI=1S/C11H13N3O4S/c12-3-4-13-9-10(1-2-11(13)15)19(16,17)14-5-7-18-8-6-14/h1-2,9H,4-8H2
InChIKeyGMQHAMXTHFXOSG-UHFFFAOYSA-N
XLogP-0.61
TPSA92.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-1-methyl-5-(morpholin-4-ylsulfonyl)pyridin-2(1H)-one
CID 91698914
5-(morpholin-4-ylsulfonyl)pyridin-2(1H)-one
CID 5268118
1-(2-Methoxyethyl)-6-oxopyridine-3-sulfonyl chloride
CID 172614361
N,N-diethyl-1-(2-morpholin-4-yl-2-oxoethyl)-6-oxopyridine-3-sulfonamide
CID 7252306
Cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
CID 7977615
N,N-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 24562403
1-(2-methoxyethyl)-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 27921398
N,N-dimethyl-1-(2-morpholin-4-ylethyl)-6-oxopyridine-3-sulfonamide
CID 35813064
N,N-dimethyl-1-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 41990912
N,N-dimethyl-1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 41990914
N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 42928870
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629171

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile (CID 53170588) is 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile is N#CCn1cc(S(=O)(=O)N2CCOCC2)ccc1=O.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is GMQHAMXTHFXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c12-3-4-13-9-10(1-2-11(13)15)19(16,17)14-5-7-18-8-6-14/h1-2,9H,4-8H2.
What are the key properties of 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile?
2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 283.31 g/mol, XLogP of -0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonyl-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 53170588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).