4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine

C12H18N4O3S — CID 110096218

IUPAC4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC1c1ccncn1
InChIInChI=1S/C12H18N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-12(16)11-3-4-13-10-14-11/h3-4,10,12H,1-2,5-9H2
InChIKeyDEJDZJSKGGSTQI-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.19
Rot. Bonds3

About 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine

4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine (PubChem CID 110096218) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
PubChem CID110096218
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCCC1c1ccncn1
InChIInChI=1S/C12H18N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-12(16)11-3-4-13-10-14-11/h3-4,10,12H,1-2,5-9H2
InChIKeyDEJDZJSKGGSTQI-UHFFFAOYSA-N
XLogP0.19
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
CID 124951171
4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110096219
N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
CID 125018998
N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
CID 110114762
4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 124967389
N-methyl-4-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 124957346
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine?
The IUPAC name of 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine (CID 110096218) is 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine?
The canonical SMILES for 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCCC1c1ccncn1.
What is the InChIKey of 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine?
The InChIKey is DEJDZJSKGGSTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c17-20(18,15-6-8-19-9-7-15)16-5-1-2-12(16)11-3-4-13-10-14-11/h3-4,10,12H,1-2,5-9H2.
What are the key properties of 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine?
4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine has a molecular weight of 298.37 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 110096218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).