(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone

C14H19NO4S — CID 43070670

IUPAC(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C14H19NO4S/c1-3-12-10-15(8-9-19-12)14(16)11-4-6-13(7-5-11)20(2,17)18/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIUMXQKNMBFBPFC-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.34
Rot. Bonds3

About (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone

(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 43070670) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID43070670
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C14H19NO4S/c1-3-12-10-15(8-9-19-12)14(16)11-4-6-13(7-5-11)20(2,17)18/h4-7,12H,3,8-10H2,1-2H3
InChIKeyIUMXQKNMBFBPFC-UHFFFAOYSA-N
XLogP1.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
1-[4-(2-ethylmorpholine-4-carbonyl)phenyl]pyrrolidin-2-one
CID 42943561
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070690
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
[3-(bromomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 80667807

Frequently Asked Questions

What is the IUPAC name of (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone (CID 43070670) is (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone is CCC1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CCO1.
What is the InChIKey of (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is IUMXQKNMBFBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-12-10-15(8-9-19-12)14(16)11-4-6-13(7-5-11)20(2,17)18/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone?
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 297.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 43070670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).