3-benzyl-4-propylsulfonylmorpholine

C14H21NO3S — CID 110749966

IUPAC3-benzyl-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOCC1Cc1ccccc1
InChIInChI=1S/C14H21NO3S/c1-2-10-19(16,17)15-8-9-18-12-14(15)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyUFYKTLSINVNHSL-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.67
Rot. Bonds5

About 3-benzyl-4-propylsulfonylmorpholine

3-benzyl-4-propylsulfonylmorpholine (PubChem CID 110749966) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-benzyl-4-propylsulfonylmorpholine.

Molecular Properties

Compound Name3-benzyl-4-propylsulfonylmorpholine
PubChem CID110749966
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-benzyl-4-propylsulfonylmorpholine
SMILESCCCS(=O)(=O)N1CCOCC1Cc1ccccc1
InChIInChI=1S/C14H21NO3S/c1-2-10-19(16,17)15-8-9-18-12-14(15)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyUFYKTLSINVNHSL-UHFFFAOYSA-N
XLogP1.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-4-methylmorpholine;ethane
CID 168940239
(3R)-3-benzyl-4-tert-butylmorpholine
CID 138601634
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
4-propylsulfonyl-3-(1H-pyrazol-5-yl)morpholine
CID 110132368
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43612984
1-(3-benzylmorpholin-4-yl)butyl nitrate
CID 54229546

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-propylsulfonylmorpholine?
The IUPAC name of 3-benzyl-4-propylsulfonylmorpholine (CID 110749966) is 3-benzyl-4-propylsulfonylmorpholine.
What is the SMILES notation for 3-benzyl-4-propylsulfonylmorpholine?
The canonical SMILES for 3-benzyl-4-propylsulfonylmorpholine is CCCS(=O)(=O)N1CCOCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-propylsulfonylmorpholine?
The InChIKey is UFYKTLSINVNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-10-19(16,17)15-8-9-18-12-14(15)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of 3-benzyl-4-propylsulfonylmorpholine?
3-benzyl-4-propylsulfonylmorpholine has a molecular weight of 283.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-propylsulfonylmorpholine is sourced from PubChem (CID 110749966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).