(4-methylsulfonylphenyl)-morpholin-2-ylmethanone

C12H15NO4S — CID 116919550

IUPAC(4-methylsulfonylphenyl)-morpholin-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CNCCO2)cc1
InChIInChI=1S/C12H15NO4S/c1-18(15,16)10-4-2-9(3-5-10)12(14)11-8-13-6-7-17-11/h2-5,11,13H,6-8H2,1H3
InChIKeySYYLSGIBWAFMQV-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.26
Rot. Bonds3

About (4-methylsulfonylphenyl)-morpholin-2-ylmethanone

(4-methylsulfonylphenyl)-morpholin-2-ylmethanone (PubChem CID 116919550) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-morpholin-2-ylmethanone
PubChem CID116919550
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(4-methylsulfonylphenyl)-morpholin-2-ylmethanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CNCCO2)cc1
InChIInChI=1S/C12H15NO4S/c1-18(15,16)10-4-2-9(3-5-10)12(14)11-8-13-6-7-17-11/h2-5,11,13H,6-8H2,1H3
InChIKeySYYLSGIBWAFMQV-UHFFFAOYSA-N
XLogP0.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-morpholin-2-ylmethanone
CID 116561587
morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
(3-hydroxyphenyl)-morpholin-2-ylmethanone
CID 84675045
(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
CID 116919555
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
(3-bromofuran-2-yl)-morpholin-2-ylmethanone
CID 116561685
(2-methylpyrazol-3-yl)-morpholin-2-ylmethanone
CID 116561589
(2R)-morpholine-2-carboxamide
CID 51600069
ethane;1-morpholin-2-ylethanone
CID 143224838
ethane;morpholine-2-carboxylic acid
CID 170608685
(7-fluoro-2,3-dihydro-1H-inden-4-yl)-morpholin-2-ylmethanone
CID 174513546

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-morpholin-2-ylmethanone?
The IUPAC name of (4-methylsulfonylphenyl)-morpholin-2-ylmethanone (CID 116919550) is (4-methylsulfonylphenyl)-morpholin-2-ylmethanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-morpholin-2-ylmethanone?
The canonical SMILES for (4-methylsulfonylphenyl)-morpholin-2-ylmethanone is CS(=O)(=O)c1ccc(C(=O)C2CNCCO2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-morpholin-2-ylmethanone?
The InChIKey is SYYLSGIBWAFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-18(15,16)10-4-2-9(3-5-10)12(14)11-8-13-6-7-17-11/h2-5,11,13H,6-8H2,1H3.
What are the key properties of (4-methylsulfonylphenyl)-morpholin-2-ylmethanone?
(4-methylsulfonylphenyl)-morpholin-2-ylmethanone has a molecular weight of 269.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-morpholin-2-ylmethanone is sourced from PubChem (CID 116919550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).