3-(benzenesulfonylmethyl)morpholine

C11H15NO3S — CID 117037196

IUPAC3-(benzenesulfonylmethyl)morpholine
SMILESO=S(=O)(CC1COCCN1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-4-2-1-3-5-11)9-10-8-15-7-6-12-10/h1-5,10,12H,6-9H2
InChIKeyCEROYMYRUZZIMR-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.45
Rot. Bonds3

About 3-(benzenesulfonylmethyl)morpholine

3-(benzenesulfonylmethyl)morpholine (PubChem CID 117037196) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)morpholine.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)morpholine
PubChem CID117037196
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-(benzenesulfonylmethyl)morpholine
SMILESO=S(=O)(CC1COCCN1)c1ccccc1
InChIInChI=1S/C11H15NO3S/c13-16(14,11-4-2-1-3-5-11)9-10-8-15-7-6-12-10/h1-5,10,12H,6-9H2
InChIKeyCEROYMYRUZZIMR-UHFFFAOYSA-N
XLogP0.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279
3-(ethylsulfonylmethyl)morpholine
CID 84720172
imino-methyl-(morpholin-3-ylmethyl)-oxo-λ6-sulfane
CID 176694413
3-(2-phenylethyl)morpholine
CID 54013840
2-morpholin-3-yl-1-phenylethanone
CID 14753828
1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
CID 81465901
2-(benzenesulfonylmethyl)-1,3-dioxepane
CID 102377373
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915822
N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
CID 103549161
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
(4R)-4-(benzenesulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323649

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)morpholine?
The IUPAC name of 3-(benzenesulfonylmethyl)morpholine (CID 117037196) is 3-(benzenesulfonylmethyl)morpholine.
What is the SMILES notation for 3-(benzenesulfonylmethyl)morpholine?
The canonical SMILES for 3-(benzenesulfonylmethyl)morpholine is O=S(=O)(CC1COCCN1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)morpholine?
The InChIKey is CEROYMYRUZZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-16(14,11-4-2-1-3-5-11)9-10-8-15-7-6-12-10/h1-5,10,12H,6-9H2.
What are the key properties of 3-(benzenesulfonylmethyl)morpholine?
3-(benzenesulfonylmethyl)morpholine has a molecular weight of 241.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)morpholine is sourced from PubChem (CID 117037196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).