1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone

C15H21NO4S — CID 16838369

IUPAC1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-12(2)21(18,19)14-5-3-13(4-6-14)11-15(17)16-7-9-20-10-8-16/h3-6,12H,7-11H2,1-2H3
InChIKeyZWOUAESOGCEOMN-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.27
Rot. Bonds4

About 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone

1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone (PubChem CID 16838369) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
PubChem CID16838369
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-12(2)21(18,19)14-5-3-13(4-6-14)11-15(17)16-7-9-20-10-8-16/h3-6,12H,7-11H2,1-2H3
InChIKeyZWOUAESOGCEOMN-UHFFFAOYSA-N
XLogP1.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122333541
1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122355652
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
1-[(1R,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 98214711
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
1-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90504874
1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 71798870
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(4-propan-2-ylsulfonylphenyl)-1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122341998
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone (CID 16838369) is 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone is CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
The InChIKey is ZWOUAESOGCEOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-12(2)21(18,19)14-5-3-13(4-6-14)11-15(17)16-7-9-20-10-8-16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone?
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone has a molecular weight of 311.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 16838369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).