N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide

C14H22N4O4S — CID 125019910

IUPACN-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CN(S(=O)(=O)C(C)C)CCO2)n1
InChIInChI=1S/C14H22N4O4S/c1-10(2)23(20,21)18-6-7-22-13(9-18)14-15-5-4-12(17-14)8-16-11(3)19/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyXZISKTINONRWQH-CYBMUJFWSA-N
MW342.42 g/mol
LogP0.22
Rot. Bonds5

About N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 125019910) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID125019910
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CN(S(=O)(=O)C(C)C)CCO2)n1
InChIInChI=1S/C14H22N4O4S/c1-10(2)23(20,21)18-6-7-22-13(9-18)14-15-5-4-12(17-14)8-16-11(3)19/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyXZISKTINONRWQH-CYBMUJFWSA-N
XLogP0.22
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124950073
N-[[2-[(2R)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125015526
N-[[2-[(2R)-4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125026880
N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124954482
N-[[2-[(2R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124981285
N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 124980906
N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 124969220
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79669202
2-methoxy-N-[[2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 79663141
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124955181
N-[[2-[(2R)-1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124995728

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 125019910) is N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc([C@H]2CN(S(=O)(=O)C(C)C)CCO2)n1.
What is the InChIKey of N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is XZISKTINONRWQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-10(2)23(20,21)18-6-7-22-13(9-18)14-15-5-4-12(17-14)8-16-11(3)19/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 125019910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).