(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine

C13H16N4O3S — CID 124953478

IUPAC(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCO[C@@H](c3ccncc3)C2)c1
InChIInChI=1S/C13H16N4O3S/c1-16-9-13(15-10-16)21(18,19)17-6-7-20-12(8-17)11-2-4-14-5-3-11/h2-5,9-10,12H,6-8H2,1H3/t12-/m1/s1
InChIKeyDVLWHQDBDZNDMM-GFCCVEGCSA-N
MW308.36 g/mol
LogP0.58
Rot. Bonds3

About (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine

(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine (PubChem CID 124953478) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
PubChem CID124953478
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine
SMILESCn1cnc(S(=O)(=O)N2CCO[C@@H](c3ccncc3)C2)c1
InChIInChI=1S/C13H16N4O3S/c1-16-9-13(15-10-16)21(18,19)17-6-7-20-12(8-17)11-2-4-14-5-3-11/h2-5,9-10,12H,6-8H2,1H3/t12-/m1/s1
InChIKeyDVLWHQDBDZNDMM-GFCCVEGCSA-N
XLogP0.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dimethylimidazol-2-yl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 110105107
2-(chloromethyl)-4-(1-methylimidazol-4-yl)sulfonylmorpholine
CID 81211759
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
(2R)-2-(4-chlorophenyl)-4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholine
CID 95167565
N-(5-fluoro-2-pyridinyl)-6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]pyridin-2-amine
CID 124961644
methyl 2-[[6-[4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate
CID 132779801
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-[[2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97270473
4-[[2-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97270474
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
4-[3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]sulfonyl-1-methylimidazole
CID 91630785

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine?
The IUPAC name of (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine (CID 124953478) is (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine.
What is the SMILES notation for (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine?
The canonical SMILES for (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine is Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3ccncc3)C2)c1.
What is the InChIKey of (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine?
The InChIKey is DVLWHQDBDZNDMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-16-9-13(15-10-16)21(18,19)17-6-7-20-12(8-17)11-2-4-14-5-3-11/h2-5,9-10,12H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine?
(2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine has a molecular weight of 308.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-methylimidazol-4-yl)sulfonyl-2-pyridin-4-ylmorpholine is sourced from PubChem (CID 124953478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).