4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine

C13H19NO3S — CID 51074785

IUPAC4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine
SMILESCC1CN(CCS(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C13H19NO3S/c1-12-11-14(7-9-17-12)8-10-18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyRAEOANSAUADIQI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.18
Rot. Bonds4

About 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine

4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine (PubChem CID 51074785) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine
PubChem CID51074785
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine
SMILESCC1CN(CCS(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C13H19NO3S/c1-12-11-14(7-9-17-12)8-10-18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyRAEOANSAUADIQI-UHFFFAOYSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
2-[(4-Fluorophenyl)sulfonyl]-1-morpholino-1-ethanone
CID 1486407
1-(2,6-Dimethyl-4-morpholinyl)-2-[(4-methylphenyl)sulfonyl]ethanone
CID 2767201
2,6-Dimethyl-4-[4-(phenylthio)butyl]morpholine hydrochloride
CID 2993382
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
1-(2,6-Dimethylmorpholin-4-yl)-3-(phenylsulfonyl)propan-1-one
CID 3163454
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
Acetic acid, (phenylthio)-, 2-(dimethylamino)-1-methylethyl ester
CID 37284

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine?
The IUPAC name of 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine (CID 51074785) is 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine is CC1CN(CCS(=O)(=O)c2ccccc2)CCO1.
What is the InChIKey of 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine?
The InChIKey is RAEOANSAUADIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-12-11-14(7-9-17-12)8-10-18(15,16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine?
4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)ethyl]-2-methylmorpholine is sourced from PubChem (CID 51074785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).