3-(ethylsulfonylmethyl)morpholine

C7H15NO3S — CID 84720172

IUPAC3-(ethylsulfonylmethyl)morpholine
SMILESCCS(=O)(=O)CC1COCCN1
InChIInChI=1S/C7H15NO3S/c1-2-12(9,10)6-7-5-11-4-3-8-7/h7-8H,2-6H2,1H3
InChIKeyNLFMXKBWRMAJKG-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.59
Rot. Bonds3

About 3-(ethylsulfonylmethyl)morpholine

3-(ethylsulfonylmethyl)morpholine (PubChem CID 84720172) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(ethylsulfonylmethyl)morpholine.

Molecular Properties

Compound Name3-(ethylsulfonylmethyl)morpholine
PubChem CID84720172
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-(ethylsulfonylmethyl)morpholine
SMILESCCS(=O)(=O)CC1COCCN1
InChIInChI=1S/C7H15NO3S/c1-2-12(9,10)6-7-5-11-4-3-8-7/h7-8H,2-6H2,1H3
InChIKeyNLFMXKBWRMAJKG-UHFFFAOYSA-N
XLogP-0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane
CID 176694413
3-(benzenesulfonylmethyl)morpholine
CID 117037196
dimethyl-(2-morpholin-3-ylethylimino)-oxo-λ6-sulfane
CID 130855725
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
3-(bromomethyl)morpholine
CID 70577689
3-(2-methylpropyl)morpholine
CID 20811826
2-(ethylsulfonylmethyl)-1,3-oxazolidine
CID 154189190
3-[(3-propylazetidin-1-yl)methyl]morpholine
CID 103549583
1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837
3-propylsulfonylmorpholine
CID 54021187
3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
CID 104967658

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylmethyl)morpholine?
The IUPAC name of 3-(ethylsulfonylmethyl)morpholine (CID 84720172) is 3-(ethylsulfonylmethyl)morpholine.
What is the SMILES notation for 3-(ethylsulfonylmethyl)morpholine?
The canonical SMILES for 3-(ethylsulfonylmethyl)morpholine is CCS(=O)(=O)CC1COCCN1.
What is the InChIKey of 3-(ethylsulfonylmethyl)morpholine?
The InChIKey is NLFMXKBWRMAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-12(9,10)6-7-5-11-4-3-8-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-(ethylsulfonylmethyl)morpholine?
3-(ethylsulfonylmethyl)morpholine has a molecular weight of 193.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylmethyl)morpholine is sourced from PubChem (CID 84720172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).