N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide

C13H19N3O4S — CID 110102646

IUPACN-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(C2CN(C(=O)CNS(C)(=O)=O)CCO2)ccn1
InChIInChI=1S/C13H19N3O4S/c1-10-7-11(3-4-14-10)12-9-16(5-6-20-12)13(17)8-15-21(2,18)19/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyFFKHAYOUCNDNOL-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.16
Rot. Bonds4

About N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide

N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 110102646) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
PubChem CID110102646
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(C2CN(C(=O)CNS(C)(=O)=O)CCO2)ccn1
InChIInChI=1S/C13H19N3O4S/c1-10-7-11(3-4-14-10)12-9-16(5-6-20-12)13(17)8-15-21(2,18)19/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyFFKHAYOUCNDNOL-UHFFFAOYSA-N
XLogP-0.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124988564
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953622
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124988560
5,6-dimethyl-3-[(2R)-2-(2-methyl-4-pyridinyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124980669

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide (CID 110102646) is N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide is Cc1cc(C2CN(C(=O)CNS(C)(=O)=O)CCO2)ccn1.
What is the InChIKey of N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is FFKHAYOUCNDNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10-7-11(3-4-14-10)12-9-16(5-6-20-12)13(17)8-15-21(2,18)19/h3-4,7,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 313.38 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 110102646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).