(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone

C16H23NO4S — CID 35025063

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C16H23NO4S/c1-4-11-22(19,20)14-8-6-5-7-13(14)15(18)17-9-10-21-16(2,3)12-17/h5-8H,4,9-12H2,1-3H3
InChIKeyWERVQPHFMAFUQI-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.12
Rot. Bonds4

About (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone

(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone (PubChem CID 35025063) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone
PubChem CID35025063
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C16H23NO4S/c1-4-11-22(19,20)14-8-6-5-7-13(14)15(18)17-9-10-21-16(2,3)12-17/h5-8H,4,9-12H2,1-3H3
InChIKeyWERVQPHFMAFUQI-UHFFFAOYSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone (CID 35025063) is (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone is CCCS(=O)(=O)c1ccccc1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone?
The InChIKey is WERVQPHFMAFUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-4-11-22(19,20)14-8-6-5-7-13(14)15(18)17-9-10-21-16(2,3)12-17/h5-8H,4,9-12H2,1-3H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone has a molecular weight of 325.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone is sourced from PubChem (CID 35025063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).