1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate

C10H17NO5S — CID 174570141

IUPAC1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate
SMILESC=CC(N1CCOCC1)S(=O)(=O)COC(C)=O
InChIInChI=1S/C10H17NO5S/c1-3-10(11-4-6-15-7-5-11)17(13,14)8-16-9(2)12/h3,10H,1,4-8H2,2H3
InChIKeyBGCGYIQVXUFHDT-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.23
Rot. Bonds5

About 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate

1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate (PubChem CID 174570141) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate.

Molecular Properties

Compound Name1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate
PubChem CID174570141
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate
SMILESC=CC(N1CCOCC1)S(=O)(=O)COC(C)=O
InChIInChI=1S/C10H17NO5S/c1-3-10(11-4-6-15-7-5-11)17(13,14)8-16-9(2)12/h3,10H,1,4-8H2,2H3
InChIKeyBGCGYIQVXUFHDT-UHFFFAOYSA-N
XLogP-0.23
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-morpholin-4-ylhexa-2,5-dienoic acid
CID 69340391
2-dimethylphosphoryloxy-1-(1-morpholin-4-ylprop-2-enylsulfonyl)-2-phenylethanone
CID 174508968
[4-(1-morpholin-4-ylprop-2-enylsulfonyl)phenyl]methanamine;hydrochloride
CID 174564878
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]but-3-enoate
CID 114242559
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
CID 11436688
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121
2,2-dimorpholin-4-ylethyl hydrogen carbonate;dihydrochloride
CID 67573552
methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
CID 101419276
1,4-dioxane;propyl acetate
CID 175904489

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate?
The IUPAC name of 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate (CID 174570141) is 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate.
What is the SMILES notation for 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate?
The canonical SMILES for 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate is C=CC(N1CCOCC1)S(=O)(=O)COC(C)=O.
What is the InChIKey of 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate?
The InChIKey is BGCGYIQVXUFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-3-10(11-4-6-15-7-5-11)17(13,14)8-16-9(2)12/h3,10H,1,4-8H2,2H3.
What are the key properties of 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate?
1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate has a molecular weight of 263.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylprop-2-enylsulfonylmethyl acetate is sourced from PubChem (CID 174570141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).